data_2kou_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 2kou _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 ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -60.52 -32.16 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' SD ' ' A' ' 10' ' ' MET . 15.3 m -65.41 -32.42 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.651 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 1.3 mt -68.01 -46.94 80.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -42.47 -31.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 mmt -82.64 -41.43 19.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -72.08 -39.06 69.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.651 ' CD1' ' CG2' ' A' ' 7' ' ' ILE . 2.5 m-30 -64.89 -37.55 88.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.572 ' N ' ' HG ' ' A' ' 101' ' ' SER . 0.0 OUTLIER -50.92 -39.02 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 1.2 t80 -64.08 -40.21 95.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.4 t -73.27 -31.13 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.315 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -54.64 -17.88 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.607 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 4.3 mtt180 -68.71 -3.92 13.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -58.74 162.69 6.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.93 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.42 -21.16 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 23' ' ' PHE . 17.7 t70 -76.68 127.65 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.71 -20.03 51.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.45 8.09 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.94 128.46 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 2.2 mm100 -92.51 153.89 42.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.496 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -75.01 122.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 25' ' ' PRO . 6.7 mtmt 166.89 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.0 168.17 25.42 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.76 149.13 43.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.595 ' CE1' ' HG3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.37 133.09 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.91 132.69 21.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CD2' ' CG2' ' A' ' 63' ' ' THR . 14.8 m-85 -117.28 137.43 52.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -119.67 109.43 38.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 126.07 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 ' CG1' ' A' ' 41' ' ' ILE . 18.8 t -134.37 167.71 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.98 166.36 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -13.03 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.01 -5.87 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -165.86 34.88 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 36.59 -124.18 0.89 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 58' ' ' SER . 88.1 m -127.37 151.88 48.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 0.734 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -102.4 119.61 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 3.7 p -95.19 127.49 41.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -121.19 109.43 14.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -119.61 136.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 t -141.26 128.31 20.75 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.522 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 11.8 mt -94.89 165.5 16.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.446 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.3 Cg_endo -75.05 163.36 35.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.43 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.57 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 5.4 m-80 -67.38 -16.12 64.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.36 141.44 30.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.01 -80.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.757 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -104.72 169.87 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.2 t 149.52 -17.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -68.23 136.33 53.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 5.9 mm -144.14 113.05 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 20.5 mt-10 -126.38 110.04 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.5 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.493 ' CB ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -77.6 167.05 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 60' ' ' LEU . 8.2 tt -178.49 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.488 ' CD2' HD22 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -118.27 140.42 28.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.411 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.08 1.62 7.57 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -118.69 147.57 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.682 ' CG2' ' CD2' ' A' ' 31' ' ' PHE . 1.3 m -71.34 -45.82 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 8.5 mt-10 -57.77 -42.13 83.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.21 -48.25 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -49.75 -40.91 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -68.87 -36.22 77.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 ttpm? -59.66 -34.6 73.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.389 1.056 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' OD1' HD12 ' A' ' 59' ' ' LEU . 15.9 t70 -64.08 -63.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . . . -56.28 -35.74 67.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 1.7 m -65.88 -47.07 76.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.49 -46.85 78.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.64 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.554 ' HB1' ' CE1' ' A' ' 13' ' ' TYR . . . -64.46 -43.53 93.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 13' ' ' TYR . 4.1 t -58.17 -47.28 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.63 85.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.3 -31.19 65.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.5 tm? -88.08 -29.72 20.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' VAL . 2.0 t-80 -72.81 -46.57 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.99 -36.53 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -77.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 56.92 60.78 8.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.406 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 7.4 p -106.5 -12.43 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -115.45 29.89 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -59.09 -15.92 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -78.82 -22.16 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 1.3 t80 -88.11 -22.77 23.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 pp -106.73 153.42 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 101' ' ' SER . 2.1 pt -145.1 172.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.36 152.46 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -60.31 -38.33 83.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -77.12 -35.4 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -58.12 -48.97 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.572 ' HG ' ' N ' ' A' ' 12' ' ' LYS . 4.9 t -55.15 170.12 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.068 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.562 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.7 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -70.79 -35.19 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -31.87 71.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 9' ' ' MET . 1.5 mm -66.0 -35.64 75.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -40.12 -30.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.962 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 7' ' ' ILE . 5.1 mmt -96.79 -37.3 10.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.424 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . 4.8 mtt -67.65 -30.52 70.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.606 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.8 OUTLIER -67.98 -53.25 27.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' NZ ' ' CD1' ' A' ' 89' ' ' LEU . 1.1 mmmp? -37.44 -37.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 74' ' ' ALA . 10.4 t80 -75.99 -44.78 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.4 m -65.75 -40.74 92.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.3 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' CB ' ' A' ' 27' ' ' PRO . 30.9 mtt85 -69.61 -2.21 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -64.72 161.0 49.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.01 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 58.49 14.37 2.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 32.9 t70 -101.68 137.26 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -35.85 50.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -81.85 7.96 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.475 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.44 127.63 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.79 153.43 43.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.85 119.99 5.92 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 165.55 -53.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.03 162.31 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 45.0 mt-10 -142.06 137.12 30.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -135.56 134.65 39.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.37 27.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD2' ' CG2' ' A' ' 63' ' ' THR . 5.5 m-85 -115.46 138.34 51.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HB3' ' CG1' ' A' ' 41' ' ' ILE . 2.6 ttmm -109.17 113.19 59.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 101.26 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.764 . . . . 0.0 110.991 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.72 169.27 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -63.55 164.13 10.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.385 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -11.27 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.88 16.06 4.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -173.79 33.06 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 35.46 -132.64 0.64 Allowed Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.426 ' CG2' ' OG1' ' A' ' 63' ' ' THR . 4.2 m -133.06 147.68 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.507 HG23 ' CB ' ' A' ' 58' ' ' SER . 1.4 pt -110.84 134.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.49 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 9.0 t -103.93 129.35 51.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -107.39 108.46 19.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.504 ' CG2' ' OH ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -117.61 137.13 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.3 t -145.4 120.19 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.545 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -85.67 168.2 20.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 168.08 25.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -16.36 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 2.1 m-80 -67.44 -18.22 65.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.38 140.4 30.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.599 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.2 165.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 1.8 m 150.1 -18.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 4.7 pt-20 -70.73 136.27 48.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 6.8 mm -147.08 122.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 57' ' ' SER . 0.8 OUTLIER -138.46 118.71 13.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 164.01 145.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.507 ' CB ' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -76.32 164.57 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.589 1.181 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 60' ' ' LEU . 7.2 tt -176.48 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.3 143.41 29.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.223 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 2.63 6.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -126.95 145.39 50.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.616 ' CG2' ' CD2' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -71.89 -40.19 69.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 23.5 mt-10 -57.97 -44.17 86.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.18 -48.45 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.13 -41.17 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -65.95 -35.84 81.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.55 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 6.5 mttt -67.57 -33.9 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.23 -64.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.4 -36.95 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.3 m -65.03 -47.16 78.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 108.346 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.51 -47.45 69.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -33.02 73.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . . . -66.52 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' HIS . 22.0 t -55.65 -40.38 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.623 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.4 -30.98 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 82' ' ' GLY . 6.5 tp -86.75 -31.43 20.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.8 t-80 -72.43 -46.63 54.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -61.15 -34.53 75.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.59 -78.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 54.87 61.28 7.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.44 -7.45 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.55 30.23 7.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -53.66 -20.32 5.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.84 -21.76 66.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 14.9 t80 -92.76 -15.39 26.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.21 153.91 23.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.46 ' CD1' ' NZ ' ' A' ' 12' ' ' LYS . 1.9 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 pp -123.99 172.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.225 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -121.59 151.96 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.226 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -36.71 85.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.65 -32.89 60.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.71 -3.39 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.606 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 83.6 p -54.3 145.29 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.7 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -71.25 -37.16 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -61.61 -35.02 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 11' ' ' TYR . 1.2 mm -68.49 -32.77 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.463 ' HB3' ' CE ' ' A' ' 9' ' ' MET . 14.6 t -37.3 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.481 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -95.25 -51.74 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.4 ttt -60.29 -21.0 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.3 OUTLIER -71.43 -53.59 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.81 -44.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.44 -53.46 57.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 22.7 m -57.59 -41.3 80.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -18.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -76.88 4.82 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.22 114.61 8.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.04 146.73 32.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.0 t-160 87.17 -16.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.07 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 22' ' ' PHE . 24.4 t70 -80.45 124.14 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.246 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -57.07 -24.56 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CB ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -83.93 7.62 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.32 133.0 55.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.02 150.37 41.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 118.31 5.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.796 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 176.0 -57.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 18.6 Cg_endo -74.83 149.55 37.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 10.4 mt-10 -140.57 135.01 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -134.97 144.02 47.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -142.99 136.07 28.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 10.8 p90 -116.39 139.07 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.6 ttmt -110.26 110.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 88.81 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 35' ' ' ASP . 16.9 t -98.7 165.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -62.58 157.67 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -9.68 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.71 -9.7 3.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.78 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.628 1.205 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.19 -145.35 16.56 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 63' ' ' THR . 3.3 m -120.77 139.65 52.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.412 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -105.13 120.11 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 42.6 t -103.78 156.6 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.0 ttt180 -144.84 107.98 4.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -120.28 135.2 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.73 120.72 12.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 110.39 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.505 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 12.4 mt -86.61 165.82 30.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' CD ' HD21 ' A' ' 46' ' ' LEU . 18.3 Cg_endo -75.02 167.46 26.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -20.75 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 79.1 m-20 -68.71 -15.87 63.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . . . -120.61 128.98 25.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.618 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.8 160.11 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 2.1 m 149.28 -16.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.546 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 6.8 mt-10 -71.65 132.41 44.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.546 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 4.5 mm -149.23 119.69 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 57' ' ' SER . 3.2 pt-20 -143.63 128.46 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER 155.24 140.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.479 ' CB ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -72.73 159.12 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 60' ' ' LEU . 8.9 tt -177.4 -32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 59' ' ' LEU . 1.2 mm? -112.23 139.8 22.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 2.02 7.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.595 1.839 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -121.57 148.25 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.961 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 40' ' ' THR . 98.3 m -71.94 -52.56 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.03 -39.98 63.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ASP . . . -78.51 -48.45 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.217 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.488 ' CB ' ' HB ' ' A' ' 40' ' ' THR . . . -53.59 -47.89 69.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 9.1 pttt -68.98 -35.49 76.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.573 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -67.96 -34.71 77.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 65' ' ' ALA . 8.8 t70 -61.36 -61.46 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . . . -57.37 -37.08 72.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 1.3 m -65.34 -48.12 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.629 1.206 . . . . 0.0 108.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -62.47 -45.86 91.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -33.21 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.63 72.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 9' ' ' MET . 5.0 t -56.7 -47.84 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -63.7 -45.62 89.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.517 ' O ' ' CD1' ' A' ' 52' ' ' ILE . 14.9 mm-40 -54.75 -28.69 50.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 82' ' ' GLY . 13.8 tp -91.11 -32.58 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.478 ' CE1' ' CG ' ' A' ' 9' ' ' MET . 2.5 t60 -73.54 -47.67 39.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.643 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -90.96 -75.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 57.24 60.56 8.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 p -114.16 8.86 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.786 . . . . 0.0 109.212 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 78' ' ' LEU . 1.1 pp -117.13 28.27 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.48 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.63 -18.77 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.621 1.2 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -80.58 -21.83 41.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 97.5 m-85 -95.85 -16.26 21.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -85.6 152.44 23.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.4 mt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.526 ' HB ' ' CE2' ' A' ' 11' ' ' TYR . 1.8 pp -125.33 140.23 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -123.24 152.72 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.64 -41.12 94.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.25 -34.02 55.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 tp -66.22 -11.61 51.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.592 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 33.3 t -54.63 152.0 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.409 1.068 . . . . 0.0 109.235 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -39.48 80.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 0.754 . . . . 0.0 110.052 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -57.53 -34.84 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 9' ' ' MET . 1.1 mm -68.36 -32.04 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 4.3 t -37.27 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.483 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.5 mpp? -95.64 -52.48 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 53.9 mtt -60.04 -20.95 60.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ILE . 1.4 t80 -68.41 -57.64 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.49 -43.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -55.31 -53.79 51.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.924 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -62.31 -42.71 99.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.54 1.15 . . . . 0.0 108.262 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -17.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.519 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.61 -6.99 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.27 116.56 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -42.01 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.48 -20.26 4.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.595 ' OD1' ' CD2' ' A' ' 23' ' ' PHE . 32.2 t70 -76.5 126.48 31.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.82 -36.26 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -65.03 -9.79 24.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 22.9 m-85 -128.69 130.41 47.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.46 154.45 81.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.04 162.08 37.6 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.498 1.788 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 8.3 mttt 165.63 -52.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.01 160.95 39.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.0 mt-10 -140.24 138.27 34.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -133.08 141.36 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.58 145.19 31.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -113.87 136.98 52.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 1.9 tppt? -112.52 110.57 52.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.71 5.33 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.52 169.43 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.1 164.49 8.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -10.99 20.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.34 7.36 8.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.65 35.65 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 36.29 -126.3 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.458 HG21 ' CB ' ' A' ' 66' ' ' ALA . 0.9 OUTLIER -132.44 150.33 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 110.465 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mt -105.62 146.9 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 2.3 t -122.73 129.0 51.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 108.01 17.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -118.47 137.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.81 114.37 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 12.5 mt -77.89 164.68 55.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.406 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.02 172.38 16.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.605 1.845 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.15 -18.72 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.78 -16.62 64.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.15 134.16 24.02 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.655 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -123.5 167.06 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.3 t 146.29 -14.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.073 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -66.98 137.95 56.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.4 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 5.6 mm -144.66 126.49 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' SER . 16.4 mt-10 -141.07 109.26 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER 163.3 137.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 40' ' ' THR . 1.9 p -76.08 169.78 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 60' ' ' LEU . 2.3 tm? -177.22 -33.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.376 1.048 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 59' ' ' LEU . 1.6 mm? -111.78 140.41 23.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.05 1.41 7.79 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.515 1.797 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -115.63 146.53 41.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.954 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.8 m -71.37 -52.16 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.4 -36.13 73.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.28 -50.07 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.458 ' CB ' HG21 ' A' ' 40' ' ' THR . . . -48.37 -43.04 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 4.6 pttt -69.71 -36.49 75.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 tttt -60.69 -34.63 74.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.81 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 -32.51 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.319 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -68.04 -45.64 73.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -33.33 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' SER . . . -70.59 -35.63 73.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 9' ' ' MET . 24.2 t -61.88 -48.41 88.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.56 -41.38 88.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.43 -28.63 59.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.3 tm? -93.76 -32.47 13.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CD2' ' CG ' ' A' ' 9' ' ' MET . 1.0 OUTLIER -73.16 -46.46 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.37 -49.56 75.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.03 -72.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.69 56.37 3.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.63 -7.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 25.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.2 -15.39 63.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -76.43 -21.87 55.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -94.76 -16.66 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.56 150.11 24.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -121.95 171.0 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 5.8 mm-40 -113.92 154.36 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -59.1 -36.96 76.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.01 -33.01 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.14 -1.46 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 98' ' ' ASP . 28.5 m -54.93 155.67 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -65.86 -31.76 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 11' ' ' TYR . 1.2 mm -66.29 -41.22 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.95 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -44.23 11.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.479 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -69.34 -57.74 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.949 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -49.78 -38.65 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -48.13 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD2' ' HA ' ' A' ' 75' ' ' VAL . 4.9 t80 -52.11 -44.42 64.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 t -63.35 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 108.228 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -60.8 -13.84 17.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.5 ' HB3' ' CG ' ' A' ' 27' ' ' PRO . 11.1 mmt180 -65.8 -2.79 4.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 HD12 ' CE ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.41 131.82 76.42 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -35.04 3.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -65.06 -11.19 36.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.7 121.42 35.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.39 -23.26 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.06 -9.41 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 15' ' ' SER . 2.3 t80 -132.34 148.69 52.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -81.2 153.17 71.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.0 159.31 41.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.433 1.754 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 11.3 mttt 165.13 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.5 ' CG ' ' HB3' ' A' ' 16' ' ' ARG . 18.1 Cg_endo -75.1 -173.73 1.69 Allowed 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.04 132.97 25.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -137.59 135.11 36.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -145.53 133.52 21.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.471 ' CB ' HG22 ' A' ' 63' ' ' THR . 14.3 p90 -117.11 138.97 51.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' CG ' ' HB ' ' A' ' 41' ' ' ILE . 5.0 ttmt -107.2 116.24 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 73.2 4.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 35' ' ' ASP . 2.5 p -77.64 166.42 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.45 ' N ' ' CG2' ' A' ' 34' ' ' VAL . 1.5 m-20 -64.05 170.94 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -11.67 24.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.22 -8.78 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.11 47.63 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 37.01 -113.15 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 58' ' ' SER . 94.1 m -133.11 145.28 50.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 15.4 mm -95.94 133.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 5.3 t -113.25 148.9 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' GLN . 5.5 ttt180 -145.11 106.0 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.321 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.559 ' CG2' ' CG1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -122.74 135.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.91 128.94 17.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD1' ' OG ' ' A' ' 53' ' ' SER . 11.5 mt -92.04 167.38 15.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.8 24.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.407 1.74 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.37 -16.53 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -17.11 64.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.21 141.63 30.83 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -76.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.36 166.73 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 1.2 m 152.47 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 8.3 pt-20 -54.32 136.98 42.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.559 ' CG1' ' CG2' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -145.98 115.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 21.1 mt-10 -143.18 108.51 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.218 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 168.76 125.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 40' ' ' THR . 81.0 p -75.31 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 2.9 tm? -178.41 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 1.3 mm? -110.97 145.98 33.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -123.28 145.45 48.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.969 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.471 HG22 ' CB ' ' A' ' 31' ' ' PHE . 1.3 m -68.54 -51.25 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -44.37 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.92 -49.19 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -53.52 -47.85 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.582 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -69.55 -35.18 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 ttpt -66.62 -35.5 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.48 -60.85 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 55' ' ' ILE . . . -57.39 -47.46 81.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.471 ' N ' HD13 ' A' ' 55' ' ' ILE . 1.7 t -53.14 -42.35 66.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.51 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.9 mt -58.67 -42.96 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.42 -31.34 62.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . . . -61.64 -51.52 68.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.607 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.0 p -56.92 -38.16 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -61.16 -46.09 91.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -56.5 -30.78 63.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -90.19 -33.51 16.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -65.36 -45.68 83.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.604 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.93 -27.72 69.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 82' ' ' GLY . 2.0 tp -93.08 -77.77 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 75.86 55.38 4.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -117.09 -6.07 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.17 18.9 5.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -60.5 -15.16 24.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.75 -21.67 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.74 -16.17 59.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.82 152.97 23.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.73 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -123.35 153.2 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.211 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -33.61 57.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.23 -41.29 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 25.2 m -54.54 160.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.051 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.572 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -60.9 -26.71 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -59.45 -32.8 70.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.536 HG22 ' CG ' ' A' ' 11' ' ' TYR . 1.2 mm -69.12 -41.4 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -43.3 -29.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -43.36 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.479 ' HA ' ' CG2' ' A' ' 75' ' ' VAL . 54.3 mtm -72.36 -65.29 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -42.27 -38.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -48.56 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' OH ' ' HB3' ' A' ' 53' ' ' SER . 8.1 t80 -51.24 -41.71 60.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.43 -31.12 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 17' ' ' LEU . 3.1 t -59.02 -16.54 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' NE ' ' HG3' ' A' ' 27' ' ' PRO . 28.2 mtt85 -69.64 3.14 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' CD ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -57.47 156.09 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -74.99 149.83 37.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.9 t-80 82.04 -7.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 26.8 t70 -81.33 122.1 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -75.81 -25.02 55.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 8.2 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CE1' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -111.19 143.83 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.074 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.625 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 5.3 mm100 -101.92 155.42 36.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 109.33 2.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -179.63 -59.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -74.97 154.25 42.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -141.59 139.35 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -135.16 144.37 47.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.59 144.14 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -114.89 137.24 52.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -108.85 116.25 56.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.91 168.38 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.53 162.51 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.56 -14.26 28.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.24 15.98 5.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -164.65 31.8 0.25 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 36.01 -135.64 0.54 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' SER . 20.4 m -129.38 144.36 51.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.437 HD11 ' CD ' ' A' ' 32' ' ' LYS . 21.8 mt -105.33 139.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 86.0 m -124.68 124.78 42.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.19 111.9 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -109.84 138.19 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -137.7 126.08 23.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 12.2 mt -95.01 167.67 12.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HG3' ' CD ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.06 165.7 30.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -18.79 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -66.82 -17.94 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.59 133.11 24.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -69.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.3 161.07 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 1.2 m 152.06 -19.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 1.1 pt-20 -67.48 135.53 53.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 5.3 mm -147.01 121.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.493 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -139.2 115.29 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t 167.81 142.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -75.07 162.68 28.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 60' ' ' LEU . 2.8 tm? -175.74 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -113.72 141.44 26.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.0 1.67 7.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -120.21 150.24 40.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 m -71.27 -52.11 20.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -43.97 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.64 -48.37 26.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -51.09 -47.02 61.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -69.21 -35.99 76.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.545 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 25.4 tttt -59.29 -36.32 75.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.08 -63.56 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -57.73 -35.14 70.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 m -65.81 -47.28 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 4.2 mt -66.56 -39.54 88.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -71.21 -32.87 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -66.38 -50.39 63.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 10' ' ' MET . 8.5 p -64.06 -39.77 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -47.87 79.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.2 -31.25 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.5 tm? -85.09 -32.99 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.52 -46.53 54.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' CG1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -83.29 -71.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 48.39 59.64 6.34 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.26 -13.16 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 87' ' ' PHE . 1.4 mt -126.77 23.84 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -56.25 -18.81 11.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.55 -22.1 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.462 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 1.2 m-85 -93.3 -17.21 23.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 mt -107.44 150.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -122.69 171.23 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 1.7 pt-20 -98.89 152.16 20.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -63.15 -15.78 57.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.71 -39.39 44.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -74.97 -40.89 60.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 24.1 m -54.74 160.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.572 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 12.1 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.502 ' CA ' HD13 ' A' ' 7' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -76.16 -53.31 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.969 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -61.78 -44.3 97.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.517 ' CG2' ' HA ' ' A' ' 98' ' ' ASP . 3.3 mp -59.81 -50.83 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 7' ' ' ILE . 21.4 p -33.1 -35.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 7' ' ' ILE . 3.8 tpt -95.95 -42.28 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.493 ' HA ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.59 -19.03 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 111.037 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -70.94 -54.49 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -36.57 -40.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.08 -54.52 43.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 0.0 111.056 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' ' CA ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -64.98 -29.96 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.341 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -52.33 -17.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -69.6 6.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -53.06 115.09 6.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.04 78.3 2.94 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER 160.87 -23.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.93 119.65 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -78.76 -19.5 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -62.97 -25.07 68.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 15' ' ' SER . 16.4 t80 -132.7 149.19 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -87.97 153.83 52.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.15 4.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.517 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.41 -51.53 1.92 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.403 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.01 162.8 36.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -140.04 162.3 35.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 16' ' ' ARG . 20.8 m-30 -134.3 143.17 47.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -140.96 132.83 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CB ' ' CG2' ' A' ' 63' ' ' THR . 32.0 p90 -116.45 134.29 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.26 118.83 43.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 111.78 3.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 41' ' ' ILE . 19.1 t -121.93 169.48 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.41 159.82 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.93 -12.02 22.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -7.15 25.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -160.7 48.84 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 34.35 -125.36 0.51 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 58' ' ' SER . 7.2 m -132.16 149.19 52.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 0.807 . . . . 0.0 110.395 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 32' ' ' LYS . 35.5 mt -97.52 140.2 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 67' ' ' LYS . 57.1 m -123.12 129.54 51.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.3 ttm180 -112.23 109.46 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -100.32 136.91 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -143.2 121.8 12.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.3 mt -93.36 167.43 14.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HG3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 171.2 18.79 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -15.38 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.98 -18.17 64.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -119.55 138.93 27.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 18.3 Cg_endo -75.09 -69.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.637 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.67 170.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.637 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 2.8 t 146.97 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.941 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 1.2 pt-20 -64.92 133.46 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 6.4 mm -148.08 128.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 12.7 mt-10 -142.0 114.3 8.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.7 p 166.12 135.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.42 169.73 17.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.437 HD12 ' CD2' ' A' ' 60' ' ' LEU . 2.9 tm? -176.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' CD2' HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -112.53 149.79 41.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 1.68 7.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -128.45 146.13 50.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.461 ' CG2' ' CB ' ' A' ' 31' ' ' PHE . 1.1 m -71.36 -41.57 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.6 mt-10 -56.85 -45.21 82.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.01 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.93 -39.49 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.544 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -68.99 -35.51 76.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.544 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.1 ttmt -58.72 -34.83 71.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.91 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.26 -30.21 64.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 13.8 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -68.39 -44.26 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -55.59 -34.23 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.35 76.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 10' ' ' MET . 40.7 t -56.45 -47.16 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -47.64 85.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -31.29 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' GLY . 27.6 tp -85.15 -32.95 22.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -72.92 -47.0 49.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.542 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -59.96 -40.44 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.98 -78.99 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 38.03 54.4 1.98 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.527 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 2.1 t -102.62 0.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.41 30.76 6.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -53.92 -19.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.08 -21.48 66.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -94.42 -16.43 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -99.48 154.46 18.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 95' ' ' GLU . 3.3 pt-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 pp -124.8 138.06 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -123.14 153.59 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.517 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -58.74 -34.28 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.2 -32.42 49.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.8 tp -67.11 -8.01 27.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.607 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 91.6 p -53.28 136.6 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.945 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.481 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . 29.3 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 p -60.88 -43.52 98.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 110.029 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -31.88 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' MET . 1.6 mt -61.02 -44.05 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 m -39.69 -31.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.421 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -82.5 -46.6 13.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.478 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 1.3 mpt? -64.06 -71.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -40.61 -28.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -57.8 -48.58 79.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 74' ' ' ALA . 4.8 t80 -50.61 -39.23 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -37.0 82.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -77.51 -16.17 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.1 mtt-85 -71.84 4.84 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -56.57 160.9 4.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.87 10.46 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CB ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.01 -2.6 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -97.32 119.56 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.362 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.28 -28.58 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.69 -8.21 13.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -129.19 140.13 51.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -62.19 155.25 66.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 48.6 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.597 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -94.65 -64.18 0.13 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.597 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 150.28 38.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 4.8 mt-10 -141.22 139.38 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -135.87 140.08 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.98 143.18 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -115.48 134.94 54.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -104.47 115.85 62.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.85 3.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.67 167.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.45 163.59 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -13.96 25.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -84.14 14.21 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.24 29.9 0.17 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 36.8 -137.93 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 63' ' ' THR . 5.8 m -125.95 141.28 52.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 32' ' ' LYS . 12.1 mt -100.88 145.03 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 67' ' ' LYS . 5.5 t -124.07 129.83 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.58 108.05 16.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.583 1.177 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -116.72 136.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.469 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -143.78 117.98 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 27' ' ' PRO . 11.8 mt -84.66 164.1 43.95 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.2 Cg_endo -74.97 170.83 19.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -18.21 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -71.46 -14.57 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . . . -120.29 133.38 23.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.98 -73.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.424 1.749 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -106.04 165.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.634 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 2.4 m 147.96 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 45' ' ' THR . 15.6 mt-10 -66.72 136.07 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 6.9 mm -146.8 112.5 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 57' ' ' SER . 20.3 mt-10 -127.43 108.15 10.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 162.22 142.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.35 172.23 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 60' ' ' LEU . 8.9 tt -175.72 -34.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 59' ' ' LEU . 1.3 mm? -111.61 143.53 28.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 1.65 7.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.808 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.13 148.93 43.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.448 ' HA ' ' CG2' ' A' ' 40' ' ' THR . 79.8 p -71.39 -54.46 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.9 mt-10 -53.5 -35.86 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.43 -50.81 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.82 -39.59 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 28.1 pttt -68.76 -36.32 78.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -66.29 -35.61 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.81 -66.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.55 -38.13 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 20.0 m -63.19 -46.78 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 10' ' ' MET . 6.9 mt -67.8 -46.51 71.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -59.91 -35.72 75.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.477 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . . . -68.8 -43.74 75.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.88 -47.43 91.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.596 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.543 ' OE2' ' CA ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -62.74 -28.82 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.2 tm? -88.68 -42.29 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -59.69 -46.05 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.654 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -57.17 -28.84 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -77.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 58.62 58.46 14.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 6.7 p -100.4 7.37 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 78' ' ' LEU . 1.3 pt? -124.97 24.14 7.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -18.86 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -80.54 -21.94 41.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.26 -16.12 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt -85.14 152.95 23.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.1 mm -122.1 170.91 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 8.6 mm-40 -123.6 153.12 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.42 -40.74 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 -43.29 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.6 tp -54.78 -52.46 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 83.7 p -55.78 146.38 21.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -63.79 -27.16 68.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 110.063 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -57.9 -31.54 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -60.0 -39.6 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 1.8 t -37.94 -30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 96.8 mmm -82.86 -61.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.444 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . 5.5 ptp -58.9 -32.56 69.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.647 ' CE1' ' CB ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -65.45 -51.95 56.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 10.3 mttp -40.06 -36.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD2' HG21 ' A' ' 75' ' ' VAL . 1.2 t80 -69.0 -39.05 79.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' TYR . 1.2 t -76.8 -50.35 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.647 ' CB ' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -47.64 -20.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.577 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 10.1 mtp-105 -69.7 1.49 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.97 151.08 35.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.575 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.9 -38.77 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -14.62 28.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.544 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -80.9 120.53 24.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.1 -29.19 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -3.96 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -132.28 144.51 50.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.25 154.16 57.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.21 3.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 2.8 mttt -78.46 -51.22 1.55 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -74.89 -169.21 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -143.1 139.55 30.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -136.57 134.86 37.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.75 137.92 26.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -116.9 131.25 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CD ' HD13 ' A' ' 41' ' ' ILE . 3.0 ttmm -115.67 110.48 44.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.43 6.05 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.456 ' CG2' HG13 ' A' ' 41' ' ' ILE . 16.5 t -114.3 169.65 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 157.02 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.08 -11.55 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -8.42 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.19 -74.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.09 -129.41 1.99 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -132.43 144.09 50.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 0.0 110.469 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.459 HD13 ' CD ' ' A' ' 32' ' ' LYS . 38.0 mt -100.8 141.42 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 3.2 t -123.06 128.66 50.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.8 ttp180 -109.72 108.49 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.58 ' CG2' ' CG1' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -119.37 135.62 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.44 113.49 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.497 ' CD1' ' OG ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -74.01 167.23 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.787 . . . . 0.0 111.024 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.96 -13.74 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.33 -13.75 60.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . . . -119.45 138.82 26.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -77.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.44 1.758 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.96 166.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER 152.94 -20.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.049 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 11.8 mt-10 -48.29 135.93 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.58 ' CG1' ' CG2' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -148.72 115.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.364 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 16.5 mt-10 -142.62 102.51 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 166.49 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 40' ' ' THR . 85.1 p -76.64 179.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.492 ' CD2' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER 176.57 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -110.35 150.46 41.62 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -120.3 151.22 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.1 m -72.22 -52.18 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.419 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 8.5 mt-10 -54.36 -37.55 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.3 -50.3 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -54.96 -48.19 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 1.6 pttt -68.93 -35.79 77.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 32.3 tttm -67.01 -41.46 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.25 -62.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.494 ' C ' HD11 ' A' ' 55' ' ' ILE . . . -54.71 -47.92 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.585 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 25.1 t -56.28 -46.98 79.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 1.163 . . . . 0.0 108.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -59.17 -48.14 82.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -65.58 -32.76 74.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . . . -66.42 -41.45 89.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.604 HG21 ' CD2' ' A' ' 13' ' ' TYR . 37.1 t -55.72 -40.31 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -46.93 88.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.34 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.0 tm? -86.78 -30.96 21.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.4 t-80 -72.41 -47.24 50.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.517 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -61.7 -28.69 69.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' CG1' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -97.21 -81.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 44.02 62.2 2.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.44 ' CG1' HD23 ' A' ' 81' ' ' LEU . 33.0 m -114.43 -7.73 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mt -117.4 20.11 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -64.63 -15.27 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.49 -21.41 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.91 -16.37 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.29 152.14 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.466 ' H ' ' CD2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.543 HD13 ' CE2' ' A' ' 11' ' ' TYR . 2.5 pp -127.8 167.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.05 153.04 40.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -60.66 -52.14 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -32.08 65.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.88 0.09 19.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.64 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 58.9 p -53.65 144.45 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.34 -30.81 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -62.31 -31.87 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -67.65 -32.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' ILE . 28.7 m -36.12 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -99.17 -56.86 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.54 ' HA ' HG12 ' A' ' 75' ' ' VAL . 2.0 tmt? -53.97 -19.32 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CD2' HD11 ' A' ' 96' ' ' ILE . 2.6 t80 -71.13 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.84 -43.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -51.89 -53.5 40.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 35.3 m -64.45 -45.62 86.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -50.53 -20.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -78.0 4.17 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 14' ' ' CYS . 15.2 tp -58.36 114.53 8.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.13 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -15.4 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 38.3 t70 -82.91 122.57 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -76.04 -28.87 57.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.85 73.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 72.8 t80 -95.5 139.49 31.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CE2' ' A' ' 23' ' ' PHE . 2.8 mp0 -75.22 151.96 85.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -75.0 154.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 6.3 mttp 169.18 -54.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.93 164.6 33.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.66 144.64 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 6.6 p90 -133.18 132.22 41.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.45 136.49 33.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CG ' HG22 ' A' ' 63' ' ' THR . 13.1 p90 -114.48 133.74 55.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' CG ' ' HB ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.14 118.19 56.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.459 ' CG2' HG13 ' A' ' 41' ' ' ILE . 10.7 t -125.62 171.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.7 140.73 58.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.58 -11.37 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -63.83 -8.56 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.14 -45.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.38 -135.54 7.33 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.404 ' C ' ' HB3' ' A' ' 58' ' ' SER . 2.9 m -133.11 153.59 51.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.535 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 56.0 mt -98.01 147.24 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.463 ' N ' HG21 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -117.06 128.18 54.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 108.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -121.3 108.17 13.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.535 ' HB ' ' CD1' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -120.59 139.63 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 t -143.27 113.65 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.449 HD22 ' CD ' ' A' ' 16' ' ' ARG . 11.4 mt -81.52 164.93 47.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.2 Cg_endo -74.95 175.7 10.88 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.11 -24.54 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.513 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 22.0 p30 -69.47 -7.98 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.67 147.3 40.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -91.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.2 pp -106.3 175.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 1.9 m 151.06 -19.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -53.78 139.52 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.568 ' CG1' ' HB1' ' A' ' 70' ' ' ALA . 2.7 pp -147.06 124.97 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 4.2 mt-10 -141.88 84.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.21 132.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.404 ' HB3' ' C ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -76.71 166.33 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.029 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 60' ' ' LEU . 2.7 tm? -177.3 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 mm? -112.61 144.77 31.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.0 145.51 44.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -72.03 -50.84 25.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.416 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -35.44 75.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.36 -51.92 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.424 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -51.28 -43.74 61.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -69.2 -43.01 75.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 ttpm? -60.2 -42.73 95.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.58 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.568 ' HB1' ' CG1' ' A' ' 55' ' ' ILE . . . -56.69 -41.4 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 6.0 m -55.22 -41.91 72.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -59.54 -43.81 93.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 109.224 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.86 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.82 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 10' ' ' MET . 0.5 OUTLIER -57.29 -44.47 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -47.86 72.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -57.23 -31.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' GLY . 2.4 tm? -83.23 -34.84 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.73 -47.4 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -37.36 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -74.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.22 55.73 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.28 -11.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.3 mt -128.27 6.76 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -67.19 -14.89 63.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.79 -21.66 66.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -16.52 23.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.8 mt -107.54 152.1 24.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.516 HD11 ' CD2' ' A' ' 11' ' ' TYR . 2.1 pp -127.65 172.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.57 153.99 19.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -32.15 56.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.78 -2.91 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.4 p -53.88 161.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 11.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.373 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.32 98.85 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.01 -175.95 20.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.83 -76.59 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -60.52 -32.16 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' SD ' ' A' ' 10' ' ' MET . 15.3 m -65.41 -32.42 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.651 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 1.3 mt -68.01 -46.94 80.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -42.47 -31.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 mmt -82.64 -41.43 19.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -72.08 -39.06 69.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.651 ' CD1' ' CG2' ' A' ' 7' ' ' ILE . 2.5 m-30 -64.89 -37.55 88.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.572 ' N ' ' HG ' ' A' ' 101' ' ' SER . 0.0 OUTLIER -50.92 -39.02 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE1' ' HB1' ' A' ' 74' ' ' ALA . 1.2 t80 -64.08 -40.21 95.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.4 t -73.27 -31.13 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.315 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -54.64 -17.88 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.607 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 4.3 mtt180 -68.71 -3.92 13.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -58.74 162.69 6.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.93 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.42 -21.16 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 23' ' ' PHE . 17.7 t70 -76.68 127.65 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.71 -20.03 51.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.45 8.09 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.94 128.46 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 2.2 mm100 -92.51 153.89 42.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.496 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -75.01 122.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 25' ' ' PRO . 6.7 mtmt 166.89 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.0 168.17 25.42 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.76 149.13 43.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.595 ' CE1' ' HG3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.37 133.09 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.91 132.69 21.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.682 ' CD2' ' CG2' ' A' ' 63' ' ' THR . 14.8 m-85 -117.28 137.43 52.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -119.67 109.43 38.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 126.07 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG23 ' CG1' ' A' ' 41' ' ' ILE . 18.8 t -134.37 167.71 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.98 166.36 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -13.03 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.01 -5.87 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -165.86 34.88 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 36.59 -124.18 0.89 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 58' ' ' SER . 88.1 m -127.37 151.88 48.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 0.734 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -102.4 119.61 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 3.7 p -95.19 127.49 41.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -121.19 109.43 14.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -119.61 136.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 t -141.26 128.31 20.75 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 11.8 mt -94.89 165.5 16.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.446 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.3 Cg_endo -75.05 163.36 35.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.43 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.57 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 5.4 m-80 -67.38 -16.12 64.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.36 141.44 30.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.01 -80.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.757 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -104.72 169.87 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.2 t 149.52 -17.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -68.23 136.33 53.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.473 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 5.9 mm -144.14 113.05 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 20.5 mt-10 -126.38 110.04 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.5 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.493 ' CB ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -77.6 167.05 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 60' ' ' LEU . 8.2 tt -178.49 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.488 ' CD2' HD22 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -118.27 140.42 28.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.411 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.08 1.62 7.57 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -118.69 147.57 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.682 ' CG2' ' CD2' ' A' ' 31' ' ' PHE . 1.3 m -71.34 -45.82 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 8.5 mt-10 -57.77 -42.13 83.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.21 -48.25 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -49.75 -40.91 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -68.87 -36.22 77.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 ttpm? -59.66 -34.6 73.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.389 1.056 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' OD1' HD12 ' A' ' 59' ' ' LEU . 15.9 t70 -64.08 -63.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . . . -56.28 -35.74 67.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 1.7 m -65.88 -47.07 76.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.49 -46.85 78.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.64 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.554 ' HB1' ' CE1' ' A' ' 13' ' ' TYR . . . -64.46 -43.53 93.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 13' ' ' TYR . 4.1 t -58.17 -47.28 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.63 85.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.3 -31.19 65.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.5 tm? -88.08 -29.72 20.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' VAL . 2.0 t-80 -72.81 -46.57 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.99 -36.53 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.85 -77.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 56.92 60.78 8.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.406 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 7.4 p -106.5 -12.43 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -115.45 29.89 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -59.09 -15.92 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -78.82 -22.16 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 1.3 t80 -88.11 -22.77 23.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 pp -106.73 153.42 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -65.23 132.51 95.31 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -161.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.581 1.832 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -62.35 -19.39 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -44.09 74.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.073 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -82.8 -14.66 54.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ILE . 25.6 t0 -78.25 -7.85 57.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -68.94 59.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 101' ' ' SER . 2.1 pt -145.1 172.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.36 152.46 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -60.31 -38.33 83.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -77.12 -35.4 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -58.12 -48.97 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.572 ' HG ' ' N ' ' A' ' 12' ' ' LYS . 4.9 t -55.15 170.12 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.068 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.562 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.7 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -149.93 169.85 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.85 -62.98 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.31 83.64 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -70.79 -35.19 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -31.87 71.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 9' ' ' MET . 1.5 mm -66.0 -35.64 75.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -40.12 -30.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.962 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 7' ' ' ILE . 5.1 mmt -96.79 -37.3 10.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.424 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . 4.8 mtt -67.65 -30.52 70.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.606 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.8 OUTLIER -67.98 -53.25 27.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' NZ ' ' CD1' ' A' ' 89' ' ' LEU . 1.1 mmmp? -37.44 -37.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 74' ' ' ALA . 10.4 t80 -75.99 -44.78 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.4 m -65.75 -40.74 92.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.3 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' CB ' ' A' ' 27' ' ' PRO . 30.9 mtt85 -69.61 -2.21 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -64.72 161.0 49.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.01 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 58.49 14.37 2.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 32.9 t70 -101.68 137.26 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -35.85 50.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -81.85 7.96 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.475 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.44 127.63 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.79 153.43 43.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.85 119.99 5.92 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 165.55 -53.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.03 162.31 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 45.0 mt-10 -142.06 137.12 30.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -135.56 134.65 39.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.37 27.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD2' ' CG2' ' A' ' 63' ' ' THR . 5.5 m-85 -115.46 138.34 51.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HB3' ' CG1' ' A' ' 41' ' ' ILE . 2.6 ttmm -109.17 113.19 59.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 101.26 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.764 . . . . 0.0 110.991 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.72 169.27 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -63.55 164.13 10.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.385 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -11.27 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.88 16.06 4.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -173.79 33.06 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 35.46 -132.64 0.64 Allowed Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.426 ' CG2' ' OG1' ' A' ' 63' ' ' THR . 4.2 m -133.06 147.68 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.507 HG23 ' CB ' ' A' ' 58' ' ' SER . 1.4 pt -110.84 134.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.49 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 9.0 t -103.93 129.35 51.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -107.39 108.46 19.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.504 ' CG2' ' OH ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -117.61 137.13 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.3 t -145.4 120.19 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -85.67 168.2 20.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 168.08 25.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -16.36 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 2.1 m-80 -67.44 -18.22 65.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.38 140.4 30.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.599 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.2 165.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 1.8 m 150.1 -18.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 4.7 pt-20 -70.73 136.27 48.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 6.8 mm -147.08 122.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 57' ' ' SER . 0.8 OUTLIER -138.46 118.71 13.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 164.01 145.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.507 ' CB ' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -76.32 164.57 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.589 1.181 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 60' ' ' LEU . 7.2 tt -176.48 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.3 143.41 29.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.223 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 2.63 6.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -126.95 145.39 50.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.616 ' CG2' ' CD2' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -71.89 -40.19 69.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 23.5 mt-10 -57.97 -44.17 86.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.18 -48.45 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.13 -41.17 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -65.95 -35.84 81.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.55 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 6.5 mttt -67.57 -33.9 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.23 -64.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.4 -36.95 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.3 m -65.03 -47.16 78.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 108.346 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.51 -47.45 69.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -33.02 73.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . . . -66.52 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' HIS . 22.0 t -55.65 -40.38 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.623 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.4 -30.98 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 82' ' ' GLY . 6.5 tp -86.75 -31.43 20.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.8 t-80 -72.43 -46.63 54.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -61.15 -34.53 75.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.59 -78.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 54.87 61.28 7.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.44 -7.45 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.55 30.23 7.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -53.66 -20.32 5.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.84 -21.76 66.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 14.9 t80 -92.76 -15.39 26.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.21 153.91 23.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' CD2' ' HG3' ' A' ' 93' ' ' LYS . 1.9 mt -65.09 160.72 54.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -75.6 -20.25 58.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.374 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -56.59 -37.1 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' HG3' ' CD2' ' A' ' 89' ' ' LEU . 14.5 mmtm -82.09 -5.77 58.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 12.5 t0 -69.52 -15.14 63.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.6 59.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 pp -123.99 172.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.225 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -121.59 151.96 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.226 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -36.71 85.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.65 -32.89 60.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.71 -3.39 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.606 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 83.6 p -54.3 145.29 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.7 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t 74.15 146.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.86 109.01 2.05 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.432 1.083 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.85 93.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -71.25 -37.16 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -61.61 -35.02 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 11' ' ' TYR . 1.2 mm -68.49 -32.77 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.463 ' HB3' ' CE ' ' A' ' 9' ' ' MET . 14.6 t -37.3 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.481 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -95.25 -51.74 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.4 ttt -60.29 -21.0 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.3 OUTLIER -71.43 -53.59 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.81 -44.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.44 -53.46 57.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 22.7 m -57.59 -41.3 80.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -18.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -76.88 4.82 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.22 114.61 8.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.04 146.73 32.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.0 t-160 87.17 -16.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.07 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 22' ' ' PHE . 24.4 t70 -80.45 124.14 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.246 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -57.07 -24.56 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CB ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -83.93 7.62 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.32 133.0 55.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.02 150.37 41.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 118.31 5.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.796 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 176.0 -57.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 18.6 Cg_endo -74.83 149.55 37.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 10.4 mt-10 -140.57 135.01 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -134.97 144.02 47.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -142.99 136.07 28.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 10.8 p90 -116.39 139.07 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.6 ttmt -110.26 110.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 88.81 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 35' ' ' ASP . 16.9 t -98.7 165.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -62.58 157.67 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -9.68 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.71 -9.7 3.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.78 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.628 1.205 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.19 -145.35 16.56 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 63' ' ' THR . 3.3 m -120.77 139.65 52.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.412 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -105.13 120.11 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 42.6 t -103.78 156.6 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.0 ttt180 -144.84 107.98 4.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -120.28 135.2 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.73 120.72 12.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 110.39 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 12.4 mt -86.61 165.82 30.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' CD ' HD21 ' A' ' 46' ' ' LEU . 18.3 Cg_endo -75.02 167.46 26.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -20.75 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 79.1 m-20 -68.71 -15.87 63.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . . . -120.61 128.98 25.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.618 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.8 160.11 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 2.1 m 149.28 -16.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.546 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 6.8 mt-10 -71.65 132.41 44.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.546 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 4.5 mm -149.23 119.69 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 57' ' ' SER . 3.2 pt-20 -143.63 128.46 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER 155.24 140.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.479 ' CB ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -72.73 159.12 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 60' ' ' LEU . 8.9 tt -177.4 -32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 59' ' ' LEU . 1.2 mm? -112.23 139.8 22.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 2.02 7.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.595 1.839 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -121.57 148.25 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.961 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 40' ' ' THR . 98.3 m -71.94 -52.56 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.03 -39.98 63.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ASP . . . -78.51 -48.45 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.217 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.488 ' CB ' ' HB ' ' A' ' 40' ' ' THR . . . -53.59 -47.89 69.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 9.1 pttt -68.98 -35.49 76.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.573 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -67.96 -34.71 77.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 65' ' ' ALA . 8.8 t70 -61.36 -61.46 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . . . -57.37 -37.08 72.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 1.3 m -65.34 -48.12 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.629 1.206 . . . . 0.0 108.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -62.47 -45.86 91.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -33.21 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.63 72.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 9' ' ' MET . 5.0 t -56.7 -47.84 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -63.7 -45.62 89.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.517 ' O ' ' CD1' ' A' ' 52' ' ' ILE . 14.9 mm-40 -54.75 -28.69 50.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 82' ' ' GLY . 13.8 tp -91.11 -32.58 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.478 ' CE1' ' CG ' ' A' ' 9' ' ' MET . 2.5 t60 -73.54 -47.67 39.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.643 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -90.96 -75.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 57.24 60.56 8.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 p -114.16 8.86 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.786 . . . . 0.0 109.212 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 78' ' ' LEU . 1.1 pp -117.13 28.27 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.48 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.63 -18.77 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.621 1.2 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -80.58 -21.83 41.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 97.5 m-85 -95.85 -16.26 21.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -85.6 152.44 23.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.4 mt -65.79 123.92 86.1 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -91.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -74.86 -22.97 58.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -60.18 -44.47 95.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -1.07 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 8.0 t70 -69.51 -11.24 60.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -120.57 65.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.526 ' HB ' ' CE2' ' A' ' 11' ' ' TYR . 1.8 pp -125.33 140.23 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -123.24 152.72 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.64 -41.12 94.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.25 -34.02 55.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 tp -66.22 -11.61 51.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.592 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 33.3 t -54.63 152.0 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.409 1.068 . . . . 0.0 109.235 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.92 155.31 41.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' SER . . . 161.76 -152.96 23.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.34 93.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER -68.72 -39.48 80.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 0.754 . . . . 0.0 110.052 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -57.53 -34.84 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 9' ' ' MET . 1.1 mm -68.36 -32.04 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 4.3 t -37.27 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.483 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.5 mpp? -95.64 -52.48 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 53.9 mtt -60.04 -20.95 60.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ILE . 1.4 t80 -68.41 -57.64 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.49 -43.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -55.31 -53.79 51.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.924 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -62.31 -42.71 99.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.54 1.15 . . . . 0.0 108.262 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -17.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.519 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.61 -6.99 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.27 116.56 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -42.01 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.48 -20.26 4.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.595 ' OD1' ' CD2' ' A' ' 23' ' ' PHE . 32.2 t70 -76.5 126.48 31.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.82 -36.26 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -65.03 -9.79 24.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 22.9 m-85 -128.69 130.41 47.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.46 154.45 81.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.04 162.08 37.6 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.498 1.788 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 8.3 mttt 165.63 -52.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.01 160.95 39.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.0 mt-10 -140.24 138.27 34.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -133.08 141.36 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.58 145.19 31.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -113.87 136.98 52.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 1.9 tppt? -112.52 110.57 52.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.71 5.33 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.52 169.43 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.1 164.49 8.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -10.99 20.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.34 7.36 8.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.65 35.65 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 36.29 -126.3 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.458 HG21 ' CB ' ' A' ' 66' ' ' ALA . 0.9 OUTLIER -132.44 150.33 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 110.465 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mt -105.62 146.9 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 2.3 t -122.73 129.0 51.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 108.01 17.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -118.47 137.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.81 114.37 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 12.5 mt -77.89 164.68 55.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.02 172.38 16.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.605 1.845 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.15 -18.72 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.78 -16.62 64.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.15 134.16 24.02 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.655 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -123.5 167.06 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.3 t 146.29 -14.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.073 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -66.98 137.95 56.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.4 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 5.6 mm -144.66 126.49 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' SER . 16.4 mt-10 -141.07 109.26 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER 163.3 137.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 40' ' ' THR . 1.9 p -76.08 169.78 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 60' ' ' LEU . 2.3 tm? -177.22 -33.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.376 1.048 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 59' ' ' LEU . 1.6 mm? -111.78 140.41 23.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.05 1.41 7.79 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.515 1.797 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -115.63 146.53 41.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.954 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.8 m -71.37 -52.16 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.4 -36.13 73.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.28 -50.07 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' CB ' HG21 ' A' ' 40' ' ' THR . . . -48.37 -43.04 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 4.6 pttt -69.71 -36.49 75.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 tttt -60.69 -34.63 74.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.81 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 -32.51 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.319 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -68.04 -45.64 73.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -33.33 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' SER . . . -70.59 -35.63 73.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 9' ' ' MET . 24.2 t -61.88 -48.41 88.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.56 -41.38 88.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.43 -28.63 59.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.3 tm? -93.76 -32.47 13.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CD2' ' CG ' ' A' ' 9' ' ' MET . 1.0 OUTLIER -73.16 -46.46 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.37 -49.56 75.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.03 -72.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.69 56.37 3.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.63 -7.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 25.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.2 -15.39 63.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -76.43 -21.87 55.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -94.76 -16.66 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.56 150.11 24.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.15 124.01 90.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -161.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.641 1.864 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.33 -22.22 13.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 p -73.84 -49.13 26.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.984 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -18.85 63.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.78 -22.3 21.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 40.51 73.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -121.95 171.0 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 5.8 mm-40 -113.92 154.36 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -59.1 -36.96 76.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.01 -33.01 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.14 -1.46 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 98' ' ' ASP . 28.5 m -54.93 155.67 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -46.89 146.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.23 108.95 3.75 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.85 58.73 0.5 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -65.86 -31.76 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 11' ' ' TYR . 1.2 mm -66.29 -41.22 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.95 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -44.23 11.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.479 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -69.34 -57.74 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.949 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -49.78 -38.65 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -48.13 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD2' ' HA ' ' A' ' 75' ' ' VAL . 4.9 t80 -52.11 -44.42 64.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 t -63.35 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 108.228 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -60.8 -13.84 17.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.5 ' HB3' ' CG ' ' A' ' 27' ' ' PRO . 11.1 mmt180 -65.8 -2.79 4.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD12 ' CE ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.41 131.82 76.42 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -35.04 3.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -65.06 -11.19 36.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.7 121.42 35.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.39 -23.26 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.06 -9.41 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 15' ' ' SER . 2.3 t80 -132.34 148.69 52.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -81.2 153.17 71.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.0 159.31 41.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.433 1.754 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 11.3 mttt 165.13 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.5 ' CG ' ' HB3' ' A' ' 16' ' ' ARG . 18.1 Cg_endo -75.1 -173.73 1.69 Allowed 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.04 132.97 25.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -137.59 135.11 36.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -145.53 133.52 21.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.471 ' CB ' HG22 ' A' ' 63' ' ' THR . 14.3 p90 -117.11 138.97 51.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' CG ' ' HB ' ' A' ' 41' ' ' ILE . 5.0 ttmt -107.2 116.24 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 73.2 4.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 35' ' ' ASP . 2.5 p -77.64 166.42 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.45 ' N ' ' CG2' ' A' ' 34' ' ' VAL . 1.5 m-20 -64.05 170.94 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -11.67 24.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.22 -8.78 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.11 47.63 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 37.01 -113.15 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 58' ' ' SER . 94.1 m -133.11 145.28 50.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 15.4 mm -95.94 133.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 5.3 t -113.25 148.9 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' GLN . 5.5 ttt180 -145.11 106.0 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.321 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.559 ' CG2' ' CG1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -122.74 135.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.91 128.94 17.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD1' ' OG ' ' A' ' 53' ' ' SER . 11.5 mt -92.04 167.38 15.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.8 24.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.407 1.74 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.37 -16.53 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -17.11 64.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.21 141.63 30.83 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -76.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.36 166.73 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 1.2 m 152.47 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 8.3 pt-20 -54.32 136.98 42.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.559 ' CG1' ' CG2' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -145.98 115.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 21.1 mt-10 -143.18 108.51 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.218 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 168.76 125.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 40' ' ' THR . 81.0 p -75.31 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.511 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 2.9 tm? -178.41 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD2' ' CD1' ' A' ' 59' ' ' LEU . 1.3 mm? -110.97 145.98 33.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -123.28 145.45 48.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.969 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.471 HG22 ' CB ' ' A' ' 31' ' ' PHE . 1.3 m -68.54 -51.25 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -44.37 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.92 -49.19 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -53.52 -47.85 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.582 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -69.55 -35.18 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 ttpt -66.62 -35.5 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.48 -60.85 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 55' ' ' ILE . . . -57.39 -47.46 81.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.471 ' N ' HD13 ' A' ' 55' ' ' ILE . 1.7 t -53.14 -42.35 66.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.51 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.9 mt -58.67 -42.96 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.42 -31.34 62.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . . . -61.64 -51.52 68.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.607 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 5.0 p -56.92 -38.16 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -61.16 -46.09 91.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -56.5 -30.78 63.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -90.19 -33.51 16.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -65.36 -45.68 83.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.604 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.93 -27.72 69.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 82' ' ' GLY . 2.0 tp -93.08 -77.77 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 75.86 55.38 4.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -117.09 -6.07 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.17 18.9 5.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -60.5 -15.16 24.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.75 -21.67 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.74 -16.17 59.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.82 152.97 23.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 92' ' ' SER . 6.3 mt -66.02 129.57 94.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -91.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -75.69 -22.0 57.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.482 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -63.46 -46.13 87.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.44 1.087 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' O ' ' CG1' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -69.76 -7.96 43.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 19.7 t0 -69.74 -8.15 45.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -128.01 61.73 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 93' ' ' LYS . 2.1 pp -132.73 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -123.35 153.2 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.211 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -33.61 57.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.23 -41.29 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 25.2 m -54.54 160.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.051 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.572 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.76 136.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.389 1.056 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.33 -86.94 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -171.42 59.65 0.17 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -60.9 -26.71 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -59.45 -32.8 70.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.536 HG22 ' CG ' ' A' ' 11' ' ' TYR . 1.2 mm -69.12 -41.4 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -43.3 -29.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -43.36 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.479 ' HA ' ' CG2' ' A' ' 75' ' ' VAL . 54.3 mtm -72.36 -65.29 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -42.27 -38.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -48.56 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' OH ' ' HB3' ' A' ' 53' ' ' SER . 8.1 t80 -51.24 -41.71 60.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.43 -31.12 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 17' ' ' LEU . 3.1 t -59.02 -16.54 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' NE ' ' HG3' ' A' ' 27' ' ' PRO . 28.2 mtt85 -69.64 3.14 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' CD ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -57.47 156.09 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -74.99 149.83 37.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.9 t-80 82.04 -7.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 26.8 t70 -81.33 122.1 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -75.81 -25.02 55.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 8.2 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CE1' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -111.19 143.83 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.074 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.625 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 5.3 mm100 -101.92 155.42 36.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 109.33 2.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -179.63 -59.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -74.97 154.25 42.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -141.59 139.35 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -135.16 144.37 47.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.59 144.14 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -114.89 137.24 52.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -108.85 116.25 56.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.91 168.38 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.53 162.51 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.56 -14.26 28.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.24 15.98 5.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -164.65 31.8 0.25 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 36.01 -135.64 0.54 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' SER . 20.4 m -129.38 144.36 51.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.437 HD11 ' CD ' ' A' ' 32' ' ' LYS . 21.8 mt -105.33 139.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 86.0 m -124.68 124.78 42.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.19 111.9 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -109.84 138.19 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -137.7 126.08 23.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 12.2 mt -95.01 167.67 12.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HG3' ' CD ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.06 165.7 30.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -18.79 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -66.82 -17.94 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.59 133.11 24.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -69.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.3 161.07 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 1.2 m 152.06 -19.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 1.1 pt-20 -67.48 135.53 53.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 5.3 mm -147.01 121.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.493 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -139.2 115.29 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t 167.81 142.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -75.07 162.68 28.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 60' ' ' LEU . 2.8 tm? -175.74 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -113.72 141.44 26.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.0 1.67 7.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -120.21 150.24 40.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 m -71.27 -52.11 20.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -43.97 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.64 -48.37 26.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -51.09 -47.02 61.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -69.21 -35.99 76.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.545 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 25.4 tttt -59.29 -36.32 75.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.08 -63.56 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -57.73 -35.14 70.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 m -65.81 -47.28 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 4.2 mt -66.56 -39.54 88.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -71.21 -32.87 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -66.38 -50.39 63.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 10' ' ' MET . 8.5 p -64.06 -39.77 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -47.87 79.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.2 -31.25 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.5 tm? -85.09 -32.99 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.52 -46.53 54.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' CG1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -83.29 -71.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 48.39 59.64 6.34 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.26 -13.16 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' A' ' 87' ' ' PHE . 1.4 mt -126.77 23.84 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -56.25 -18.81 11.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.55 -22.1 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.462 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 1.2 m-85 -93.3 -17.21 23.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 mt -107.44 150.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 124.07 77.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -163.82 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 95' ' ' GLU . 9.5 p-10 -105.89 -21.96 13.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.4 p -60.72 -49.47 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -21.52 64.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.84 -33.35 15.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.4 mm-40 43.61 64.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 110.27 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -122.69 171.23 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 1.7 pt-20 -98.89 152.16 20.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -63.15 -15.78 57.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.71 -39.39 44.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -74.97 -40.89 60.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 24.1 m -54.74 160.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.572 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 12.1 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.68 -83.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.62 63.91 0.21 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.502 ' CA ' HD13 ' A' ' 7' ' ' ILE . . . -58.0 97.28 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -76.16 -53.31 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.969 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -61.78 -44.3 97.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.517 ' CG2' ' HA ' ' A' ' 98' ' ' ASP . 3.3 mp -59.81 -50.83 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 7' ' ' ILE . 21.4 p -33.1 -35.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 7' ' ' ILE . 3.8 tpt -95.95 -42.28 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.493 ' HA ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.59 -19.03 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 111.037 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -70.94 -54.49 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -36.57 -40.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.08 -54.52 43.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 0.0 111.056 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' ' CA ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -64.98 -29.96 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.341 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -52.33 -17.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -69.6 6.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -53.06 115.09 6.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.04 78.3 2.94 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER 160.87 -23.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.93 119.65 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -78.76 -19.5 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -62.97 -25.07 68.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 15' ' ' SER . 16.4 t80 -132.7 149.19 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -87.97 153.83 52.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.15 4.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.41 -51.53 1.92 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.403 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.01 162.8 36.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -140.04 162.3 35.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 16' ' ' ARG . 20.8 m-30 -134.3 143.17 47.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -140.96 132.83 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CB ' ' CG2' ' A' ' 63' ' ' THR . 32.0 p90 -116.45 134.29 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.26 118.83 43.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 111.78 3.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 41' ' ' ILE . 19.1 t -121.93 169.48 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.41 159.82 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.93 -12.02 22.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -7.15 25.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -160.7 48.84 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 34.35 -125.36 0.51 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 58' ' ' SER . 7.2 m -132.16 149.19 52.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 0.807 . . . . 0.0 110.395 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 32' ' ' LYS . 35.5 mt -97.52 140.2 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 67' ' ' LYS . 57.1 m -123.12 129.54 51.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.3 ttm180 -112.23 109.46 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -100.32 136.91 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -143.2 121.8 12.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.3 mt -93.36 167.43 14.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HG3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 171.2 18.79 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -15.38 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.98 -18.17 64.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . . . -119.55 138.93 27.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 18.3 Cg_endo -75.09 -69.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.637 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.67 170.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.637 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 2.8 t 146.97 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.941 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 55' ' ' ILE . 1.2 pt-20 -64.92 133.46 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 6.4 mm -148.08 128.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 12.7 mt-10 -142.0 114.3 8.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.7 p 166.12 135.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.42 169.73 17.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD12 ' CD2' ' A' ' 60' ' ' LEU . 2.9 tm? -176.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' CD2' HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -112.53 149.79 41.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 1.68 7.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -128.45 146.13 50.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.461 ' CG2' ' CB ' ' A' ' 31' ' ' PHE . 1.1 m -71.36 -41.57 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.6 mt-10 -56.85 -45.21 82.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.01 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.93 -39.49 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.544 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -68.99 -35.51 76.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.544 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.1 ttmt -58.72 -34.83 71.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.91 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.26 -30.21 64.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 13.8 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -68.39 -44.26 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -55.59 -34.23 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.35 76.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 10' ' ' MET . 40.7 t -56.45 -47.16 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -47.64 85.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -31.29 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' GLY . 27.6 tp -85.15 -32.95 22.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -72.92 -47.0 49.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.542 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -59.96 -40.44 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.98 -78.99 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 38.03 54.4 1.98 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.527 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 2.1 t -102.62 0.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.41 30.76 6.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -53.92 -19.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.08 -21.48 66.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -94.42 -16.43 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -99.48 154.46 18.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -63.48 121.82 72.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -92.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 2.6 p30 -71.01 -22.45 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -35.21 77.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.935 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.469 ' CB ' HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.27 -2.89 30.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 20.3 t70 -69.5 -9.1 52.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 95' ' ' GLU . 3.3 pt-20 -108.26 42.16 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 pp -124.8 138.06 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -123.14 153.59 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.517 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -58.74 -34.28 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.2 -32.42 49.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.8 tp -67.11 -8.01 27.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.607 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 91.6 p -53.28 136.6 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.945 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.481 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . 29.3 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 47.73 79.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.035 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.1 -70.05 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.46 53.37 0.31 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 p -60.88 -43.52 98.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 110.029 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -31.88 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' MET . 1.6 mt -61.02 -44.05 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 m -39.69 -31.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.421 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -82.5 -46.6 13.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.478 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 1.3 mpt? -64.06 -71.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -40.61 -28.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -57.8 -48.58 79.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 74' ' ' ALA . 4.8 t80 -50.61 -39.23 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -37.0 82.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -77.51 -16.17 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.1 mtt-85 -71.84 4.84 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -56.57 160.9 4.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.87 10.46 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CB ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.01 -2.6 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -97.32 119.56 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.362 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.28 -28.58 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.69 -8.21 13.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -129.19 140.13 51.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -62.19 155.25 66.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 48.6 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.597 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -94.65 -64.18 0.13 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.597 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 150.28 38.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 4.8 mt-10 -141.22 139.38 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -135.87 140.08 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.98 143.18 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -115.48 134.94 54.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -104.47 115.85 62.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.85 3.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.67 167.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.45 163.59 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -13.96 25.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -84.14 14.21 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.24 29.9 0.17 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . 36.8 -137.93 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 63' ' ' THR . 5.8 m -125.95 141.28 52.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 32' ' ' LYS . 12.1 mt -100.88 145.03 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 67' ' ' LYS . 5.5 t -124.07 129.83 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.58 108.05 16.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.583 1.177 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -116.72 136.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.469 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -143.78 117.98 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 27' ' ' PRO . 11.8 mt -84.66 164.1 43.95 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.2 Cg_endo -74.97 170.83 19.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -18.21 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -71.46 -14.57 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . . . -120.29 133.38 23.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.454 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.98 -73.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.424 1.749 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -106.04 165.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.634 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 2.4 m 147.96 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 45' ' ' THR . 15.6 mt-10 -66.72 136.07 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 54' ' ' GLU . 6.9 mm -146.8 112.5 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 57' ' ' SER . 20.3 mt-10 -127.43 108.15 10.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 162.22 142.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.35 172.23 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 60' ' ' LEU . 8.9 tt -175.72 -34.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 59' ' ' LEU . 1.3 mm? -111.61 143.53 28.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 1.65 7.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.808 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.13 148.93 43.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.448 ' HA ' ' CG2' ' A' ' 40' ' ' THR . 79.8 p -71.39 -54.46 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.9 mt-10 -53.5 -35.86 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.43 -50.81 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.82 -39.59 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 28.1 pttt -68.76 -36.32 78.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -66.29 -35.61 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.81 -66.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.55 -38.13 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 20.0 m -63.19 -46.78 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 10' ' ' MET . 6.9 mt -67.8 -46.51 71.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -59.91 -35.72 75.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.477 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . . . -68.8 -43.74 75.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.88 -47.43 91.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.596 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.543 ' OE2' ' CA ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -62.74 -28.82 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.2 tm? -88.68 -42.29 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -59.69 -46.05 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.654 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -57.17 -28.84 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -77.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 58.62 58.46 14.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' HG3' ' A' ' 51' ' ' PRO . 6.7 p -100.4 7.37 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 78' ' ' LEU . 1.3 pt? -124.97 24.14 7.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -18.86 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -80.54 -21.94 41.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.26 -16.12 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt -85.14 152.95 23.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 92' ' ' SER . 2.5 mt -65.85 124.69 88.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -92.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.536 1.809 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -23.9 59.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -59.95 -46.46 89.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -13.29 56.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -81.53 -8.56 59.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -110.63 46.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.1 mm -122.1 170.91 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 8.6 mm-40 -123.6 153.12 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.42 -40.74 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 -43.29 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.6 tp -54.78 -52.46 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 83.7 p -55.78 146.38 21.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.45 88.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.088 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.41 49.12 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.26 -105.72 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -63.79 -27.16 68.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 110.063 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -57.9 -31.54 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -60.0 -39.6 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 1.8 t -37.94 -30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 96.8 mmm -82.86 -61.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.444 ' HA ' ' CG1' ' A' ' 75' ' ' VAL . 5.5 ptp -58.9 -32.56 69.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.647 ' CE1' ' CB ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -65.45 -51.95 56.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 10.3 mttp -40.06 -36.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD2' HG21 ' A' ' 75' ' ' VAL . 1.2 t80 -69.0 -39.05 79.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' TYR . 1.2 t -76.8 -50.35 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.647 ' CB ' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -47.64 -20.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.577 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 10.1 mtp-105 -69.7 1.49 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.97 151.08 35.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.575 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.9 -38.77 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -14.62 28.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.544 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -80.9 120.53 24.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.1 -29.19 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -3.96 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -132.28 144.51 50.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.25 154.16 57.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.21 3.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 2.8 mttt -78.46 -51.22 1.55 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -74.89 -169.21 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -143.1 139.55 30.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -136.57 134.86 37.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.75 137.92 26.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -116.9 131.25 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CD ' HD13 ' A' ' 41' ' ' ILE . 3.0 ttmm -115.67 110.48 44.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.43 6.05 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.456 ' CG2' HG13 ' A' ' 41' ' ' ILE . 16.5 t -114.3 169.65 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 157.02 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.08 -11.55 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -8.42 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.19 -74.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.09 -129.41 1.99 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -132.43 144.09 50.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 0.0 110.469 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.459 HD13 ' CD ' ' A' ' 32' ' ' LYS . 38.0 mt -100.8 141.42 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 3.2 t -123.06 128.66 50.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.8 ttp180 -109.72 108.49 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.58 ' CG2' ' CG1' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -119.37 135.62 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.44 113.49 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.497 ' CD1' ' OG ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -74.01 167.23 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.787 . . . . 0.0 111.024 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.96 -13.74 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.33 -13.75 60.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . . . -119.45 138.82 26.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -77.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.44 1.758 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.96 166.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER 152.94 -20.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.049 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 11.8 mt-10 -48.29 135.93 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.58 ' CG1' ' CG2' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -148.72 115.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.364 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 16.5 mt-10 -142.62 102.51 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 166.49 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 40' ' ' THR . 85.1 p -76.64 179.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.492 ' CD2' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER 176.57 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -110.35 150.46 41.62 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -120.3 151.22 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.1 m -72.22 -52.18 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.419 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 8.5 mt-10 -54.36 -37.55 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.3 -50.3 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -54.96 -48.19 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 1.6 pttt -68.93 -35.79 77.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 32.3 tttm -67.01 -41.46 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.25 -62.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.494 ' C ' HD11 ' A' ' 55' ' ' ILE . . . -54.71 -47.92 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.585 ' SG ' ' CD1' ' A' ' 13' ' ' TYR . 25.1 t -56.28 -46.98 79.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 1.163 . . . . 0.0 108.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -59.17 -48.14 82.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -65.58 -32.76 74.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . . . -66.42 -41.45 89.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.604 HG21 ' CD2' ' A' ' 13' ' ' TYR . 37.1 t -55.72 -40.31 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -46.93 88.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.34 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.0 tm? -86.78 -30.96 21.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.4 t-80 -72.41 -47.24 50.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.517 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -61.7 -28.69 69.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' CG1' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -97.21 -81.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 44.02 62.2 2.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.44 ' CG1' HD23 ' A' ' 81' ' ' LEU . 33.0 m -114.43 -7.73 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mt -117.4 20.11 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -64.63 -15.27 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.49 -21.41 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.91 -16.37 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.29 152.14 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.466 ' H ' ' CD2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -65.92 147.14 98.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -105.55 -22.14 13.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 p -73.25 -49.57 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.051 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -74.15 -11.1 60.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -88.51 -24.57 22.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.391 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 94' ' ' ASP . 1.6 mm-40 33.61 75.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.113 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.543 HD13 ' CE2' ' A' ' 11' ' ' TYR . 2.5 pp -127.8 167.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.05 153.04 40.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -60.66 -52.14 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -32.08 65.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.88 0.09 19.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.64 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 58.9 p -53.65 144.45 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.8 pt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 m -147.48 144.18 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.95 165.92 26.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.04 92.17 0.11 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.34 -30.81 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -62.31 -31.87 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -67.65 -32.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' ILE . 28.7 m -36.12 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -99.17 -56.86 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.54 ' HA ' HG12 ' A' ' 75' ' ' VAL . 2.0 tmt? -53.97 -19.32 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CD2' HD11 ' A' ' 96' ' ' ILE . 2.6 t80 -71.13 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.84 -43.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -51.89 -53.5 40.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 35.3 m -64.45 -45.62 86.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -50.53 -20.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -78.0 4.17 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 14' ' ' CYS . 15.2 tp -58.36 114.53 8.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.13 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -15.4 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 38.3 t70 -82.91 122.57 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -76.04 -28.87 57.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.85 73.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 72.8 t80 -95.5 139.49 31.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CE2' ' A' ' 23' ' ' PHE . 2.8 mp0 -75.22 151.96 85.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -75.0 154.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 6.3 mttp 169.18 -54.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.93 164.6 33.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.66 144.64 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 6.6 p90 -133.18 132.22 41.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.45 136.49 33.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CG ' HG22 ' A' ' 63' ' ' THR . 13.1 p90 -114.48 133.74 55.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' CG ' ' HB ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.14 118.19 56.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.459 ' CG2' HG13 ' A' ' 41' ' ' ILE . 10.7 t -125.62 171.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.7 140.73 58.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.58 -11.37 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -63.83 -8.56 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.14 -45.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.38 -135.54 7.33 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.404 ' C ' ' HB3' ' A' ' 58' ' ' SER . 2.9 m -133.11 153.59 51.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.535 ' HB ' ' CG ' ' A' ' 32' ' ' LYS . 56.0 mt -98.01 147.24 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.463 ' N ' HG21 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -117.06 128.18 54.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 108.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -121.3 108.17 13.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.535 ' HB ' ' CD1' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -120.59 139.63 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 t -143.27 113.65 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.449 HD22 ' CD ' ' A' ' 16' ' ' ARG . 11.4 mt -81.52 164.93 47.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.2 Cg_endo -74.95 175.7 10.88 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.11 -24.54 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.513 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 22.0 p30 -69.47 -7.98 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.67 147.3 40.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -91.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.2 pp -106.3 175.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 1.9 m 151.06 -19.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -53.78 139.52 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.568 ' CG1' ' HB1' ' A' ' 70' ' ' ALA . 2.7 pp -147.06 124.97 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 4.2 mt-10 -141.88 84.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.21 132.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.404 ' HB3' ' C ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -76.71 166.33 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.029 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 60' ' ' LEU . 2.7 tm? -177.3 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 mm? -112.61 144.77 31.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.0 145.51 44.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -72.03 -50.84 25.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.416 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -35.44 75.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.36 -51.92 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -51.28 -43.74 61.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -69.2 -43.01 75.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 ttpm? -60.2 -42.73 95.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.58 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.568 ' HB1' ' CG1' ' A' ' 55' ' ' ILE . . . -56.69 -41.4 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 6.0 m -55.22 -41.91 72.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -59.54 -43.81 93.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 109.224 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.86 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.82 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 10' ' ' MET . 0.5 OUTLIER -57.29 -44.47 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -47.86 72.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -57.23 -31.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' GLY . 2.4 tm? -83.23 -34.84 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.73 -47.4 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -37.36 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -74.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.22 55.73 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.28 -11.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.3 mt -128.27 6.76 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -67.19 -14.89 63.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.79 -21.66 66.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -16.52 23.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.8 mt -107.54 152.1 24.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -69.3 124.58 90.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -104.15 -22.11 13.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.41 -49.41 22.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.922 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -65.93 -15.06 62.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -89.44 -17.62 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' ASP . 0.7 OUTLIER 36.75 77.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.516 HD11 ' CD2' ' A' ' 11' ' ' TYR . 2.1 pp -127.65 172.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.57 153.99 19.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -32.15 56.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.78 -2.91 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.4 p -53.88 161.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 11.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.373 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -60.52 -32.16 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' SD ' ' A' ' 10' ' ' MET . 15.3 m -65.41 -32.42 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.651 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 1.3 mt -68.01 -46.94 80.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -42.47 -31.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 mmt -82.64 -41.43 19.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.507 ' HA ' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -72.08 -39.06 69.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.651 ' CD1' ' CG2' ' A' ' 7' ' ' ILE . 2.5 m-30 -64.89 -37.55 88.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -39.02 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.81 ' CG ' HG22 ' A' ' 75' ' ' VAL . 1.2 t80 -64.08 -40.21 95.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.585 ' SG ' HD13 ' A' ' 17' ' ' LEU . 10.4 t -73.27 -31.13 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -54.64 -17.88 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.607 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 4.3 mtt180 -68.71 -3.92 13.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD13 ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -58.74 162.69 6.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.93 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.42 -21.16 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 23' ' ' PHE . 17.7 t70 -76.68 127.65 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.71 -20.03 51.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.45 8.09 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.94 128.46 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 2.2 mm100 -92.51 153.89 42.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.496 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -75.01 122.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 25' ' ' PRO . 6.7 mtmt 166.89 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HA ' HD23 ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.0 168.17 25.42 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.76 149.13 43.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.37 133.09 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.91 132.69 21.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.709 ' CG ' HG23 ' A' ' 63' ' ' THR . 14.8 m-85 -117.28 137.43 52.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' O ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -119.67 109.43 38.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 126.07 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 35' ' ' ASP . 18.8 t -134.37 167.71 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.5 m-20 -63.98 166.36 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -13.03 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.01 -5.87 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -165.86 34.88 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 36.59 -124.18 0.89 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.815 ' C ' HD13 ' A' ' 41' ' ' ILE . 88.1 m -127.37 151.88 48.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 0.734 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.859 HD12 ' OG ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -102.4 119.61 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.832 ' SG ' ' HB2' ' A' ' 70' ' ' ALA . 3.7 p -95.19 127.49 41.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -121.19 109.43 14.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -119.61 136.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 t -141.26 128.31 20.75 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.913 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.8 mt -94.89 165.5 16.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.43 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.57 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 5.4 m-80 -67.38 -16.12 64.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.36 141.44 30.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.619 ' HG3' HD23 ' A' ' 84' ' ' LEU . 18.2 Cg_endo -75.01 -80.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.757 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -104.72 169.87 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.913 ' CB ' HD12 ' A' ' 46' ' ' LEU . 3.2 t 149.52 -17.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.621 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -68.23 136.33 53.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.71 ' HB ' ' HB1' ' A' ' 70' ' ' ALA . 5.9 mm -144.14 113.05 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 20.5 mt-10 -126.38 110.04 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.5 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -77.6 167.05 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.698 ' CD2' HD22 ' A' ' 60' ' ' LEU . 8.2 tt -178.49 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -118.27 140.42 28.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.479 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.08 1.62 7.57 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -118.69 147.57 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.709 HG23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 m -71.34 -45.82 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 8.5 mt-10 -57.77 -42.13 83.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.584 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -78.21 -48.25 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -49.75 -40.91 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -68.87 -36.22 77.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 ttpm? -59.66 -34.6 73.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.389 1.056 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.448 ' OD1' HD13 ' A' ' 59' ' ' LEU . 15.9 t70 -64.08 -63.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.832 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -56.28 -35.74 67.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.7 m -65.88 -47.07 76.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 72' ' ' LEU . 7.3 mt -65.49 -46.85 78.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.64 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB1' ' CE1' ' A' ' 13' ' ' TYR . . . -64.46 -43.53 93.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 71' ' ' CYS . 4.1 t -58.17 -47.28 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.63 85.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.3 -31.19 65.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.5 tm? -88.08 -29.72 20.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' VAL . 2.0 t-80 -72.81 -46.57 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.99 -36.53 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.449 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -94.85 -77.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 56.92 60.78 8.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 84' ' ' LEU . 7.4 p -106.5 -12.43 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.619 HD23 ' HG3' ' A' ' 51' ' ' PRO . 3.6 mm? -115.45 29.89 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -59.09 -15.92 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -78.82 -22.16 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 1.3 t80 -88.11 -22.77 23.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 89' ' ' LEU . 2.2 pp -106.73 153.42 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.544 ' HB ' HD22 ' A' ' 100' ' ' LEU . 2.1 pt -145.1 172.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.36 152.46 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -60.31 -38.33 83.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -77.12 -35.4 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.544 HD22 ' HB ' ' A' ' 96' ' ' ILE . 2.0 tt -58.12 -48.97 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.464 ' CB ' HD11 ' A' ' 96' ' ' ILE . 4.9 t -55.15 170.12 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.068 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.562 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.7 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -70.79 -35.19 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -31.87 71.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 9' ' ' MET . 1.5 mm -66.0 -35.64 75.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -40.12 -30.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.962 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 7' ' ' ILE . 5.1 mmt -96.79 -37.3 10.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.735 ' HA ' HG11 ' A' ' 75' ' ' VAL . 4.8 mtt -67.65 -30.52 70.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.629 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.8 OUTLIER -67.98 -53.25 27.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.534 ' HZ1' HD12 ' A' ' 89' ' ' LEU . 1.1 mmmp? -37.44 -37.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.641 ' OH ' HG21 ' A' ' 44' ' ' ILE . 10.4 t80 -75.99 -44.78 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.4 m -65.75 -40.74 92.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -48.3 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' CB ' ' A' ' 27' ' ' PRO . 30.9 mtt85 -69.61 -2.21 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -64.72 161.0 49.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.01 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 58.49 14.37 2.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 32.9 t70 -101.68 137.26 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -35.85 50.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -81.85 7.96 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.475 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.44 127.63 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.466 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -110.79 153.43 43.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.85 119.99 5.92 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 165.55 -53.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.03 162.31 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 45.0 mt-10 -142.06 137.12 30.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -135.56 134.65 39.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.37 27.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD2' ' CG2' ' A' ' 63' ' ' THR . 5.5 m-85 -115.46 138.34 51.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.644 ' O ' HG23 ' A' ' 40' ' ' THR . 2.6 ttmm -109.17 113.19 59.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 101.26 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.764 . . . . 0.0 110.991 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 35' ' ' ASP . 40.5 t -100.72 169.27 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 34' ' ' VAL . 2.9 t0 -63.55 164.13 10.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.385 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -11.27 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.88 16.06 4.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -173.79 33.06 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 35.46 -132.64 0.64 Allowed Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.963 HG21 ' OG1' ' A' ' 63' ' ' THR . 4.2 m -133.06 147.68 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.847 HG22 ' CB ' ' A' ' 58' ' ' SER . 1.4 pt -110.84 134.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 9.0 t -103.93 129.35 51.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HA ' ' CG ' ' A' ' 56' ' ' GLU . 31.3 ttp180 -107.39 108.46 19.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.641 HG21 ' OH ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -117.61 137.13 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.3 t -145.4 120.19 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.096 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -85.67 168.2 20.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.0 168.08 25.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -16.36 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 2.1 m-80 -67.44 -18.22 65.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.38 140.4 30.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HG3' HD23 ' A' ' 84' ' ' LEU . 18.3 Cg_endo -75.03 -75.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.667 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.2 165.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.096 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.8 m 150.1 -18.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.753 ' O ' HD13 ' A' ' 55' ' ' ILE . 4.7 pt-20 -70.73 136.27 48.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.8 mm -147.08 122.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 57' ' ' SER . 0.8 OUTLIER -138.46 118.71 13.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 164.01 145.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.847 ' CB ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -76.32 164.57 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.589 1.181 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.668 HD22 HD22 ' A' ' 60' ' ' LEU . 7.2 tt -176.48 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD22 HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.3 143.41 29.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.223 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.444 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.01 2.63 6.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -126.95 145.39 50.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.963 ' OG1' HG21 ' A' ' 40' ' ' THR . 0.9 OUTLIER -71.89 -40.19 69.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 23.5 mt-10 -57.97 -44.17 86.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.18 -48.45 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.13 -41.17 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -65.95 -35.84 81.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.552 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 6.5 mttt -67.57 -33.9 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' HD13 ' A' ' 59' ' ' LEU . 9.9 t70 -62.23 -64.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.4 -36.95 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.3 m -65.03 -47.16 78.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 108.346 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.51 -47.45 69.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -33.02 73.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB1' ' HH ' ' A' ' 13' ' ' TYR . . . -66.52 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 71' ' ' CYS . 22.0 t -55.65 -40.38 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.623 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.4 -30.98 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 88' ' ' LEU . 6.5 tp -86.75 -31.43 20.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.8 t-80 -72.43 -46.63 54.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -61.15 -34.53 75.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.667 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -92.59 -78.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 54.87 61.28 7.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.44 -7.45 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -114.55 30.23 7.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -53.66 -20.32 5.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.84 -21.76 66.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 14.9 t80 -92.76 -15.39 26.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 78' ' ' LEU . 87.1 mt -84.21 153.91 23.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' HZ1' ' A' ' 12' ' ' LYS . 1.9 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 pp -123.99 172.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.225 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -121.59 151.96 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.226 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -36.71 85.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.65 -32.89 60.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.71 -3.39 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.629 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 83.6 p -54.3 145.29 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.7 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -71.25 -37.16 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -61.61 -35.02 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 11' ' ' TYR . 1.2 mm -68.49 -32.77 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 9' ' ' MET . 14.6 t -37.3 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.623 ' HG2' ' CE1' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -95.25 -51.74 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.483 ' HA ' HG21 ' A' ' 75' ' ' VAL . 13.4 ttt -60.29 -21.0 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.3 OUTLIER -71.43 -53.59 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.81 -44.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.44 -53.46 57.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 22.7 m -57.59 -41.3 80.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -18.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -76.88 4.82 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -57.22 114.61 8.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.04 146.73 32.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.0 t-160 87.17 -16.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.07 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 22' ' ' PHE . 24.4 t70 -80.45 124.14 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.246 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -57.07 -24.56 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CB ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -83.93 7.62 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.32 133.0 55.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.02 150.37 41.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 118.31 5.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.796 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 176.0 -57.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 18.6 Cg_endo -74.83 149.55 37.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.735 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.4 mt-10 -140.57 135.01 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -134.97 144.02 47.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -142.99 136.07 28.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 10.8 p90 -116.39 139.07 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.817 ' HG2' HG23 ' A' ' 34' ' ' VAL . 5.6 ttmt -110.26 110.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 88.81 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.817 HG23 ' HG2' ' A' ' 32' ' ' LYS . 16.9 t -98.7 165.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -62.58 157.67 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -9.68 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.71 -9.7 3.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.78 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.628 1.205 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 130.19 -145.35 16.56 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.915 HG21 ' HA ' ' A' ' 63' ' ' THR . 3.3 m -120.77 139.65 52.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.412 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.798 HD13 ' C ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.13 120.11 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 42.6 t -103.78 156.6 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.0 ttt180 -144.84 107.98 4.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -120.28 135.2 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.73 120.72 12.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 110.39 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.92 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.4 mt -86.61 165.82 30.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.3 Cg_endo -75.02 167.46 26.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -20.75 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 79.1 m-20 -68.71 -15.87 63.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.819 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.61 128.98 25.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' HD23 ' A' ' 84' ' ' LEU . 18.4 Cg_endo -75.01 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.847 HG13 HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.8 160.11 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.92 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.1 m 149.28 -16.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.767 ' O ' HD13 ' A' ' 55' ' ' ILE . 6.8 mt-10 -71.65 132.41 44.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 54' ' ' GLU . 4.5 mm -149.23 119.69 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 57' ' ' SER . 3.2 pt-20 -143.63 128.46 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER 155.24 140.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.738 ' HB3' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -72.73 159.12 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.557 HD22 HD22 ' A' ' 60' ' ' LEU . 8.9 tt -177.4 -32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.557 HD22 HD22 ' A' ' 59' ' ' LEU . 1.2 mm? -112.23 139.8 22.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -74.96 2.02 7.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.595 1.839 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -121.57 148.25 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.961 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.915 ' HA ' HG21 ' A' ' 40' ' ' THR . 98.3 m -71.94 -52.56 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.03 -39.98 63.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ASP . . . -78.51 -48.45 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.217 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.524 ' CB ' ' HB ' ' A' ' 40' ' ' THR . . . -53.59 -47.89 69.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 9.1 pttt -68.98 -35.49 76.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.573 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -67.96 -34.71 77.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' HD23 ' A' ' 60' ' ' LEU . 8.8 t70 -61.36 -61.46 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -57.37 -37.08 72.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 1.3 m -65.34 -48.12 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.629 1.206 . . . . 0.0 108.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -62.47 -45.86 91.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -33.21 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.63 72.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 10' ' ' MET . 5.0 t -56.7 -47.84 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -63.7 -45.62 89.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.564 ' O ' HD13 ' A' ' 52' ' ' ILE . 14.9 mm-40 -54.75 -28.69 50.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.915 HD11 HD21 ' A' ' 84' ' ' LEU . 13.8 tp -91.11 -32.58 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.623 ' CE1' ' HG2' ' A' ' 9' ' ' MET . 0.8 OUTLIER -73.54 -47.67 39.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.643 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -90.96 -75.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 57.24 60.56 8.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.572 ' HB ' HD22 ' A' ' 81' ' ' LEU . 5.3 p -114.16 8.86 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.786 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.915 HD21 HD11 ' A' ' 78' ' ' LEU . 1.1 pp -117.13 28.27 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.581 ' HA ' HD23 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.63 -18.77 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.621 1.2 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -80.58 -21.83 41.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 97.5 m-85 -95.85 -16.26 21.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -85.6 152.44 23.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.4 mt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.526 ' HB ' ' CE2' ' A' ' 11' ' ' TYR . 1.8 pp -125.33 140.23 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.438 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 37.5 mt-10 -123.24 152.72 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.64 -41.12 94.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.25 -34.02 55.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.438 ' CB ' ' HB2' ' A' ' 97' ' ' GLU . 2.9 tp -66.22 -11.61 51.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.611 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 33.3 t -54.63 152.0 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.409 1.068 . . . . 0.0 109.235 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -39.48 80.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 0.754 . . . . 0.0 110.052 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -57.53 -34.84 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 9' ' ' MET . 1.1 mm -68.36 -32.04 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 4.3 t -37.27 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG2' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mpp? -95.64 -52.48 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.533 ' HA ' HG21 ' A' ' 75' ' ' VAL . 53.9 mtt -60.04 -20.95 60.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ILE . 1.4 t80 -68.41 -57.64 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.49 -43.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -55.31 -53.79 51.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.924 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -62.31 -42.71 99.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.54 1.15 . . . . 0.0 108.262 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -53.55 -17.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.519 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.61 -6.99 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.27 116.56 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -42.01 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.48 -20.26 4.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.595 ' OD1' ' CD2' ' A' ' 23' ' ' PHE . 32.2 t70 -76.5 126.48 31.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.82 -36.26 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -65.03 -9.79 24.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 22.9 m-85 -128.69 130.41 47.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.46 154.45 81.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.04 162.08 37.6 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.498 1.788 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 8.3 mttt 165.63 -52.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.01 160.95 39.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.0 mt-10 -140.24 138.27 34.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.8 p90 -133.08 141.36 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.58 145.19 31.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -113.87 136.98 52.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' HD12 ' A' ' 41' ' ' ILE . 1.9 tppt? -112.52 110.57 52.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.71 5.33 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 41' ' ' ILE . 40.5 t -124.52 169.43 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.535 ' N ' HG12 ' A' ' 34' ' ' VAL . 11.1 m-20 -63.1 164.49 8.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -10.99 20.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.34 7.36 8.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.65 35.65 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.29 -126.3 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.501 HG21 ' HA ' ' A' ' 63' ' ' THR . 0.9 OUTLIER -132.44 150.33 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 110.465 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.551 HG23 ' CA ' ' A' ' 57' ' ' SER . 11.3 mt -105.62 146.9 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 70' ' ' ALA . 2.3 t -122.73 129.0 51.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 108.01 17.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -118.47 137.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 45' ' ' THR . 0.6 OUTLIER -146.81 114.37 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.857 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.5 mt -77.89 164.68 55.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.38 16.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.605 1.845 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.15 -18.72 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.78 -16.62 64.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.15 134.16 24.02 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.655 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -123.5 167.06 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.857 ' CB ' HD12 ' A' ' 46' ' ' LEU . 3.3 t 146.29 -14.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.073 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.677 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -66.98 137.95 56.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HG3' ' A' ' 77' ' ' GLU . 5.6 mm -144.66 126.49 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' SER . 16.4 mt-10 -141.07 109.26 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.551 ' CA ' HG23 ' A' ' 41' ' ' ILE . 1.0 OUTLIER 163.3 137.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' THR . 1.9 p -76.08 169.78 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -177.22 -33.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.376 1.048 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.734 HD22 HD12 ' A' ' 59' ' ' LEU . 1.6 mm? -111.78 140.41 23.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.05 1.41 7.79 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.515 1.797 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -115.63 146.53 41.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.954 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.501 ' HA ' HG21 ' A' ' 40' ' ' THR . 98.8 m -71.37 -52.16 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.4 -36.13 73.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.28 -50.07 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 62' ' ' SER . . . -48.37 -43.04 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 4.6 pttt -69.71 -36.49 75.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 tttt -60.69 -34.63 74.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.81 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.639 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -56.78 -32.51 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.319 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -68.04 -45.64 73.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -33.33 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' SER . . . -70.59 -35.63 73.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 10' ' ' MET . 24.2 t -61.88 -48.41 88.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.56 -41.38 88.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.737 ' HG3' HD11 ' A' ' 55' ' ' ILE . 1.7 mm-40 -56.43 -28.63 59.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.3 tm? -93.76 -32.47 13.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.583 ' CE1' ' HG2' ' A' ' 9' ' ' MET . 1.0 OUTLIER -73.16 -46.46 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.37 -49.56 75.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.03 -72.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.69 56.37 3.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.63 -7.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 25.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.2 -15.39 63.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -76.43 -21.87 55.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -94.76 -16.66 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.56 150.11 24.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -121.95 171.0 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.594 ' N ' HG22 ' A' ' 96' ' ' ILE . 5.8 mm-40 -113.92 154.36 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -59.1 -36.96 76.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.01 -33.01 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.14 -1.46 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.458 ' HG ' HG21 ' A' ' 7' ' ' ILE . 28.5 m -54.93 155.67 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -65.86 -31.76 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 11' ' ' TYR . 1.2 mm -66.29 -41.22 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.436 ' HB2' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -40.95 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -44.23 11.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.721 ' HA ' HG21 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -69.34 -57.74 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.949 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -49.78 -38.65 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -48.13 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 75' ' ' VAL . 4.9 t80 -52.11 -44.42 64.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 t -63.35 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 108.228 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -60.8 -13.84 17.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CG ' ' A' ' 27' ' ' PRO . 11.1 mmt180 -65.8 -2.79 4.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.59 HD11 ' CD ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.41 131.82 76.42 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -35.04 3.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -65.06 -11.19 36.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.7 121.42 35.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.39 -23.26 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.06 -9.41 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 15' ' ' SER . 2.3 t80 -132.34 148.69 52.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -81.2 153.17 71.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.0 159.31 41.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.433 1.754 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 11.3 mttt 165.13 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.501 ' CG ' ' HB3' ' A' ' 16' ' ' ARG . 18.1 Cg_endo -75.1 -173.73 1.69 Allowed 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.04 132.97 25.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -137.59 135.11 36.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -145.53 133.52 21.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -117.11 138.97 51.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' CG ' ' HB ' ' A' ' 41' ' ' ILE . 5.0 ttmt -107.2 116.24 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 73.2 4.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG11 HG12 ' A' ' 41' ' ' ILE . 2.5 p -77.64 166.42 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' VAL . 1.5 m-20 -64.05 170.94 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -11.67 24.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.22 -8.78 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.11 47.63 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 37.01 -113.15 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.882 HG21 ' OG1' ' A' ' 63' ' ' THR . 94.1 m -133.11 145.28 50.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.608 HD13 ' HB3' ' A' ' 58' ' ' SER . 15.4 mm -95.94 133.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 5.3 t -113.25 148.9 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' GLN . 5.5 ttt180 -145.11 106.0 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.321 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.623 HG22 HG13 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -122.74 135.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.91 128.94 17.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.958 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.5 mt -92.04 167.38 15.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.3 Cg_endo -74.99 168.8 24.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.407 1.74 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.37 -16.53 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -17.11 64.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.21 141.63 30.83 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 81' ' ' LEU . 18.6 Cg_endo -74.94 -76.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.36 166.73 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.958 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.2 m 152.47 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 8.3 pt-20 -54.32 136.98 42.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.867 ' HB ' ' HB1' ' A' ' 70' ' ' ALA . 0.5 OUTLIER -145.98 115.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 21.1 mt-10 -143.18 108.51 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.218 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 168.76 125.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.608 ' HB3' HD13 ' A' ' 41' ' ' ILE . 81.0 p -75.31 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.829 ' CD1' HD22 ' A' ' 60' ' ' LEU . 2.9 tm? -178.41 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.829 HD22 ' CD1' ' A' ' 59' ' ' LEU . 1.3 mm? -110.97 145.98 33.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -123.28 145.45 48.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.969 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.882 ' OG1' HG21 ' A' ' 40' ' ' THR . 1.3 m -68.54 -51.25 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -44.37 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.92 -49.19 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -53.52 -47.85 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.59 ' CD ' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -69.55 -35.18 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 ttpt -66.62 -35.5 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' HD23 ' A' ' 60' ' ' LEU . 10.9 t70 -64.48 -60.85 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.867 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.39 -47.46 81.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.465 ' N ' HD13 ' A' ' 55' ' ' ILE . 1.7 t -53.14 -42.35 66.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.512 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.9 mt -58.67 -42.96 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.42 -31.34 62.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 55' ' ' ILE . . . -61.64 -51.52 68.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' A' ' 10' ' ' MET . 5.0 p -56.92 -38.16 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -61.16 -46.09 91.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -56.5 -30.78 63.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -90.19 -33.51 16.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -65.36 -45.68 83.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.604 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.93 -27.72 69.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 51' ' ' PRO . 2.0 tp -93.08 -77.77 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 75.86 55.38 4.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -117.09 -6.07 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -129.17 18.9 5.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 88' ' ' LEU . 12.1 p30 -60.5 -15.16 24.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.75 -21.67 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' HB2' HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -76.74 -16.17 59.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -84.82 152.97 23.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 88' ' ' LEU . 6.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 8' ' ' SER . 2.1 pp -132.73 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 16.7 mt-10 -123.35 153.2 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.211 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -33.61 57.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 97' ' ' GLU . 14.5 tp -70.23 -41.29 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 25.2 m -54.54 160.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.051 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.571 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -60.9 -26.71 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -59.45 -32.8 70.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.531 HG23 ' CG ' ' A' ' 11' ' ' TYR . 1.2 mm -69.12 -41.4 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 68.9 m -43.3 -29.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -43.36 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.973 ' HA ' HG21 ' A' ' 75' ' ' VAL . 54.3 mtm -72.36 -65.29 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -42.27 -38.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -49.45 -48.56 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.404 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 8.1 t80 -51.24 -41.71 60.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.43 -31.12 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 17' ' ' LEU . 3.1 t -59.02 -16.54 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' NE ' ' HG3' ' A' ' 27' ' ' PRO . 28.2 mtt85 -69.64 3.14 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.692 HD21 ' NZ ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -57.47 156.09 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -74.99 149.83 37.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.9 t-80 82.04 -7.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 26.8 t70 -81.33 122.1 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -75.81 -25.02 55.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 8.2 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CE1' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -111.19 143.83 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.074 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.625 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 5.3 mm100 -101.92 155.42 36.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 109.33 2.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -179.63 -59.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -74.97 154.25 42.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.3 mm-40 -141.59 139.35 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -135.16 144.37 47.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.59 144.14 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -114.89 137.24 52.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.551 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -108.85 116.25 56.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 HG13 ' A' ' 41' ' ' ILE . 2.2 t -117.91 168.38 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.41 ' H ' HG12 ' A' ' 34' ' ' VAL . 77.3 m-20 -64.53 162.51 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.56 -14.26 28.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.24 15.98 5.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -164.65 31.8 0.25 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.01 -135.64 0.54 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 58' ' ' SER . 20.4 m -129.38 144.36 51.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG23 ' CA ' ' A' ' 57' ' ' SER . 21.8 mt -105.33 139.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 86.0 m -124.68 124.78 42.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.19 111.9 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -109.84 138.19 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -137.7 126.08 23.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.024 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.2 mt -95.01 167.67 12.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HG3' ' CD ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.06 165.7 30.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -18.79 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -66.82 -17.94 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.025 ' HB2' HD21 ' A' ' 88' ' ' LEU . . . -120.59 133.11 24.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -69.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.3 pp -105.3 161.07 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.024 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.2 m 152.06 -19.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.718 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.1 pt-20 -67.48 135.53 53.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 54' ' ' GLU . 5.3 mm -147.01 121.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -139.2 115.29 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.558 ' CA ' HG23 ' A' ' 41' ' ' ILE . 4.8 t 167.81 142.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.5 ' CB ' HG12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -75.07 162.68 28.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.658 HD12 HD22 ' A' ' 60' ' ' LEU . 2.8 tm? -175.74 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.658 HD22 HD12 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -113.72 141.44 26.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.471 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.0 1.67 7.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -120.21 150.24 40.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 22.3 m -71.27 -52.11 20.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -43.97 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.586 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -74.64 -48.37 26.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 62' ' ' SER . . . -51.09 -47.02 61.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.692 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -69.21 -35.99 76.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.544 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 25.4 tttt -59.29 -36.32 75.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.08 -63.56 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.606 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.73 -35.14 70.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 m -65.81 -47.28 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 4.2 mt -66.56 -39.54 88.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -71.21 -32.87 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -66.38 -50.39 63.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.973 HG21 ' HA ' ' A' ' 10' ' ' MET . 8.5 p -64.06 -39.77 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -47.87 79.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.2 -31.25 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.5 tm? -85.09 -32.99 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.52 -46.53 54.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -83.29 -71.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 48.39 59.64 6.34 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HB ' HD22 ' A' ' 81' ' ' LEU . 9.9 p -99.26 -13.16 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' A' ' 87' ' ' PHE . 1.4 mt -126.77 23.84 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -56.25 -18.81 11.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.55 -22.1 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CG ' HD22 ' A' ' 84' ' ' LEU . 1.2 m-85 -93.3 -17.21 23.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.025 HD21 ' HB2' ' A' ' 50' ' ' ALA . 1.6 mt -107.44 150.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.595 HG22 ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -122.69 171.23 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.595 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.7 pt-20 -98.89 152.16 20.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -63.15 -15.78 57.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.71 -39.39 44.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -74.97 -40.89 60.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 24.1 m -54.74 160.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.57 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 12.1 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.478 ' HA3' HD13 ' A' ' 7' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -76.16 -53.31 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.969 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -61.78 -44.3 97.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.3 mp -59.81 -50.83 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 7' ' ' ILE . 21.4 p -33.1 -35.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 7' ' ' ILE . 3.8 tpt -95.95 -42.28 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.868 ' HA ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.59 -19.03 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 111.037 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.621 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -70.94 -54.49 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -36.57 -40.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.08 -54.52 43.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 0.0 111.056 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' HB3' ' CA ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -64.98 -29.96 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.341 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -52.33 -17.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -69.6 6.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.737 HD23 ' OD1' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -53.06 115.09 6.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.04 78.3 2.94 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER 160.87 -23.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.93 119.65 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -78.76 -19.5 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -62.97 -25.07 68.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 15' ' ' SER . 16.4 t80 -132.7 149.19 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -87.97 153.83 52.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.15 4.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.517 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.41 -51.53 1.92 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.403 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.01 162.8 36.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -140.04 162.3 35.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 20.8 m-30 -134.3 143.17 47.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -140.96 132.83 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CB ' ' CG2' ' A' ' 63' ' ' THR . 32.0 p90 -116.45 134.29 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.26 118.83 43.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 111.78 3.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 41' ' ' ILE . 19.1 t -121.93 169.48 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.8 t0 -63.41 159.82 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.93 -12.02 22.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -7.15 25.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -160.7 48.84 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 34.35 -125.36 0.51 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 58' ' ' SER . 7.2 m -132.16 149.19 52.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 0.807 . . . . 0.0 110.395 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.62 ' CD1' HG21 ' A' ' 34' ' ' VAL . 35.5 mt -97.52 140.2 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 67' ' ' LYS . 57.1 m -123.12 129.54 51.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.3 ttm180 -112.23 109.46 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -100.32 136.91 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -143.2 121.8 12.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.022 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.3 mt -93.36 167.43 14.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HG3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 171.2 18.79 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -15.38 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.98 -18.17 64.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.55 138.93 27.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' HG2' HD12 ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.09 -69.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.637 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.67 170.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.022 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.8 t 146.97 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.941 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.737 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.2 pt-20 -64.92 133.46 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.4 mm -148.08 128.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 12.7 mt-10 -142.0 114.3 8.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.7 p 166.12 135.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.42 169.73 17.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.647 HD12 HD22 ' A' ' 60' ' ' LEU . 2.9 tm? -176.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD22 HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -112.53 149.79 41.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.445 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.4 Cg_endo -74.91 1.68 7.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -128.45 146.13 50.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.461 ' CG2' ' CB ' ' A' ' 31' ' ' PHE . 1.1 m -71.36 -41.57 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.6 mt-10 -56.85 -45.21 82.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.01 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.93 -39.49 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.541 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -68.99 -35.51 76.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.541 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.1 ttmt -58.72 -34.83 71.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.91 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.26 -30.21 64.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 13.8 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.413 HD13 ' SD ' ' A' ' 10' ' ' MET . 0.4 OUTLIER -68.39 -44.26 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -55.59 -34.23 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.35 76.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.868 HG21 ' HA ' ' A' ' 10' ' ' MET . 40.7 t -56.45 -47.16 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -47.64 85.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -31.29 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' GLY . 27.6 tp -85.15 -32.95 22.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.3 t-160 -72.92 -47.0 49.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.542 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -59.96 -40.44 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.592 HD13 ' H ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -91.98 -78.99 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 38.03 54.4 1.98 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.592 ' H ' HD13 ' A' ' 81' ' ' LEU . 2.1 t -102.62 0.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.41 30.76 6.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.406 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 16.3 p-10 -53.92 -19.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.08 -21.48 66.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -94.42 -16.43 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -99.48 154.46 18.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 95' ' ' GLU . 3.3 pt-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.511 HD13 ' HD2' ' A' ' 11' ' ' TYR . 1.4 pp -124.8 138.06 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -123.14 153.59 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.558 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -58.74 -34.28 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.2 -32.42 49.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HA ' HD12 ' A' ' 100' ' ' LEU . 11.8 tp -67.11 -8.01 27.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.621 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 91.6 p -53.28 136.6 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.945 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.737 ' OD1' HD23 ' A' ' 17' ' ' LEU . 29.3 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 p -60.88 -43.52 98.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 110.029 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -31.88 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' MET . 1.6 mt -61.02 -44.05 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 m -39.69 -31.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.421 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -82.5 -46.6 13.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.543 ' HA ' HG21 ' A' ' 75' ' ' VAL . 1.3 mpt? -64.06 -71.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -40.61 -28.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.687 ' HZ3' HD12 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -57.8 -48.58 79.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 74' ' ' ALA . 4.8 t80 -50.61 -39.23 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -37.0 82.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -77.51 -16.17 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.1 mtt-85 -71.84 4.84 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -56.57 160.9 4.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.87 10.46 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.688 ' HB2' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.01 -2.6 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 26.1 t70 -97.32 119.56 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.28 -28.58 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.69 -8.21 13.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -129.19 140.13 51.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 6.3 pm0 -62.19 155.25 66.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 48.6 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.598 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -94.65 -64.18 0.13 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 150.28 38.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.67 ' O ' HD13 ' A' ' 44' ' ' ILE . 4.8 mt-10 -141.22 139.38 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -135.87 140.08 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.98 143.18 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -115.48 134.94 54.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -104.47 115.85 62.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.85 3.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 35' ' ' ASP . 21.4 t -117.67 167.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -64.45 163.59 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -13.96 25.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -84.14 14.21 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.24 29.9 0.17 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.8 -137.93 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.784 HG21 ' HA ' ' A' ' 63' ' ' THR . 5.8 m -125.95 141.28 52.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.463 HG23 ' CA ' ' A' ' 57' ' ' SER . 12.1 mt -100.88 145.03 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.563 ' SG ' ' HB3' ' A' ' 70' ' ' ALA . 5.5 t -124.07 129.83 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.58 108.05 16.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.583 1.177 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -116.72 136.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -143.78 117.98 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 11.8 mt -84.66 164.1 43.95 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.83 19.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -18.21 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -71.46 -14.57 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.852 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.29 133.38 23.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.453 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.98 -73.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.424 1.749 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -106.04 165.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.721 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.4 m 147.96 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.696 ' O ' HD13 ' A' ' 55' ' ' ILE . 15.6 mt-10 -66.72 136.07 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.9 mm -146.8 112.5 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 57' ' ' SER . 20.3 mt-10 -127.43 108.15 10.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 162.22 142.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.35 172.23 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' OD2' ' A' ' 69' ' ' ASP . 8.9 tt -175.72 -34.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 69' ' ' ASP . 1.3 mm? -111.61 143.53 28.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -74.92 1.65 7.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.808 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.13 148.93 43.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.784 ' HA ' HG21 ' A' ' 40' ' ' THR . 79.8 p -71.39 -54.46 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.9 mt-10 -53.5 -35.86 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -80.43 -50.81 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.82 -39.59 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 28.1 pttt -68.76 -36.32 78.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -66.29 -35.61 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.657 ' OD2' HD13 ' A' ' 59' ' ' LEU . 22.0 t70 -59.81 -66.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.625 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -56.55 -38.13 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.899 ' O ' HG23 ' A' ' 75' ' ' VAL . 20.0 m -63.19 -46.78 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 10' ' ' MET . 6.9 mt -67.8 -46.51 71.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -59.91 -35.72 75.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . . . -68.8 -43.74 75.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 71' ' ' CYS . 96.6 t -59.88 -47.43 91.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.596 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.543 ' OE2' ' CA ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -62.74 -28.82 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.2 tm? -88.68 -42.29 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 5.0 t60 -59.69 -46.05 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.654 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -57.17 -28.84 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD22 ' HB ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -97.84 -77.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 58.62 58.46 14.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' HD22 ' A' ' 81' ' ' LEU . 6.7 p -100.4 7.37 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -124.97 24.14 7.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.627 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -55.18 -18.86 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -80.54 -21.94 41.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.26 -16.12 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 85' ' ' ASN . 14.5 mt -85.14 152.95 23.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.687 HD12 ' HZ3' ' A' ' 12' ' ' LYS . 1.1 mm -122.1 170.91 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.583 ' N ' HG22 ' A' ' 96' ' ' ILE . 8.6 mm-40 -123.6 153.12 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.42 -40.74 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 -43.29 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.544 HD23 HG23 ' A' ' 96' ' ' ILE . 11.6 tp -54.78 -52.46 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 83.7 p -55.78 146.38 21.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -63.79 -27.16 68.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 110.063 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -57.9 -31.54 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.538 HD13 ' SD ' ' A' ' 10' ' ' MET . 0.4 OUTLIER -60.0 -39.6 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 1.8 t -37.94 -30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 96.8 mmm -82.86 -61.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.763 ' HA ' HG11 ' A' ' 75' ' ' VAL . 5.5 ptp -58.9 -32.56 69.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.686 ' CD2' HD13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -65.45 -51.95 56.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 10.3 mttp -40.06 -36.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.832 ' CD2' HG22 ' A' ' 75' ' ' VAL . 1.2 t80 -69.0 -39.05 79.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' TYR . 1.2 t -76.8 -50.35 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.647 ' CB ' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -47.64 -20.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.583 HH21 ' HB3' ' A' ' 27' ' ' PRO . 10.1 mtp-105 -69.7 1.49 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.957 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.97 151.08 35.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.573 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.9 -38.77 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -14.62 28.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.544 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -80.9 120.53 24.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.1 -29.19 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -3.96 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -132.28 144.51 50.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.25 154.16 57.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.21 3.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 2.8 mttt -78.46 -51.22 1.55 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.583 ' HB3' HH21 ' A' ' 16' ' ' ARG . 18.3 Cg_endo -74.89 -169.21 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -143.1 139.55 30.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -136.57 134.86 37.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.75 137.92 26.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -116.9 131.25 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.575 ' CD ' HD12 ' A' ' 41' ' ' ILE . 3.0 ttmm -115.67 110.48 44.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.43 6.05 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.555 HG21 HG13 ' A' ' 41' ' ' ILE . 16.5 t -114.3 169.65 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -63.43 157.02 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.08 -11.55 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -8.42 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.19 -74.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.09 -129.41 1.99 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -132.43 144.09 50.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 0.0 110.469 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.575 HD12 ' CD ' ' A' ' 32' ' ' LYS . 38.0 mt -100.8 141.42 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.754 ' SG ' HD13 ' A' ' 44' ' ' ILE . 3.2 t -123.06 128.66 50.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.8 ttp180 -109.72 108.49 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.754 HD13 ' SG ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -119.37 135.62 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.44 113.49 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.93 HD12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -74.01 167.23 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.5 Cg_endo -74.97 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.787 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.96 -13.74 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.33 -13.75 60.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.776 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.45 138.82 26.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.04 -77.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.44 1.758 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.704 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.96 166.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.93 ' CB ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER 152.94 -20.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.049 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 11.8 mt-10 -48.29 135.93 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.812 HG21 ' HB2' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -148.72 115.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.364 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 16.5 mt-10 -142.62 102.51 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 166.49 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 40' ' ' THR . 85.1 p -76.64 179.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER 176.57 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.041 HD13 HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -110.35 150.46 41.62 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -120.3 151.22 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 55.1 m -72.22 -52.18 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 8.5 mt-10 -54.36 -37.55 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.847 ' HB1' HD23 ' A' ' 60' ' ' LEU . . . -79.3 -50.3 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 40' ' ' THR . . . -54.96 -48.19 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.957 ' NZ ' HD11 ' A' ' 17' ' ' LEU . 1.6 pttt -68.93 -35.79 77.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.585 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 32.3 tttm -67.01 -41.46 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.709 ' CG ' HD22 ' A' ' 59' ' ' LEU . 12.4 t70 -58.25 -62.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -54.71 -47.92 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.936 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.1 t -56.28 -46.98 79.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 1.163 . . . . 0.0 108.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -59.17 -48.14 82.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -65.58 -32.76 74.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.812 ' HB2' HG21 ' A' ' 55' ' ' ILE . . . -66.42 -41.45 89.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 71' ' ' CYS . 37.1 t -55.72 -40.31 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -46.93 88.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.34 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.0 tm? -86.78 -30.96 21.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.4 t-80 -72.41 -47.24 50.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.517 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -61.7 -28.69 69.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -97.21 -81.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 44.02 62.2 2.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -114.43 -7.73 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mt -117.4 20.11 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -64.63 -15.27 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.49 -21.41 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.91 -16.37 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.29 152.14 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.801 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.686 HD13 ' CD2' ' A' ' 11' ' ' TYR . 2.5 pp -127.8 167.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.05 153.04 40.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -60.66 -52.14 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -32.08 65.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.88 0.09 19.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.674 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 58.9 p -53.65 144.45 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' HD13 ' A' ' 17' ' ' LEU . 12.3 t0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.34 -30.81 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -62.31 -31.87 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -67.65 -32.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' ILE . 28.7 m -36.12 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -99.17 -56.86 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.513 ' HA ' HG11 ' A' ' 75' ' ' VAL . 2.0 tmt? -53.97 -19.32 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' LYS . 2.6 t80 -71.13 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.84 -43.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -51.89 -53.5 40.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 35.3 m -64.45 -45.62 86.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -50.53 -20.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -78.0 4.17 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 20' ' ' ASP . 15.2 tp -58.36 114.53 8.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.13 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -15.4 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.699 ' HB2' HD23 ' A' ' 17' ' ' LEU . 38.3 t70 -82.91 122.57 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -76.04 -28.87 57.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.85 73.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 72.8 t80 -95.5 139.49 31.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CE2' ' A' ' 23' ' ' PHE . 2.8 mp0 -75.22 151.96 85.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -75.0 154.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 6.3 mttp 169.18 -54.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.93 164.6 33.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.66 144.64 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 6.6 p90 -133.18 132.22 41.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.45 136.49 33.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.677 ' CB ' HG23 ' A' ' 63' ' ' THR . 13.1 p90 -114.48 133.74 55.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.751 ' HG2' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.14 118.19 56.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.735 HG21 HG13 ' A' ' 41' ' ' ILE . 10.7 t -125.62 171.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.537 ' H ' HG12 ' A' ' 34' ' ' VAL . 2.1 m-20 -61.7 140.73 58.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.58 -11.37 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -63.83 -8.56 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.14 -45.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 139.38 -135.54 7.33 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.566 HG21 ' OG1' ' A' ' 63' ' ' THR . 2.9 m -133.11 153.59 51.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.751 HD12 ' HG2' ' A' ' 32' ' ' LYS . 56.0 mt -98.01 147.24 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -117.06 128.18 54.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 108.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -121.3 108.17 13.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.634 ' HB ' HD11 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -120.59 139.63 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 45' ' ' THR . 5.4 t -143.27 113.65 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.702 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.4 mt -81.52 164.93 47.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -74.95 175.7 10.88 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.11 -24.54 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.665 ' CG ' HD21 ' A' ' 88' ' ' LEU . 22.0 p30 -69.47 -7.98 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -117.67 147.3 40.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CD2' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -75.09 -91.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.816 HG13 HD12 ' A' ' 81' ' ' LEU . 1.2 pp -106.3 175.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.702 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.9 m 151.06 -19.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -53.78 139.52 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.85 ' O ' HD12 ' A' ' 55' ' ' ILE . 2.7 pp -147.06 124.97 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 4.2 mt-10 -141.88 84.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.21 132.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.71 166.33 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.029 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.651 HD12 HD22 ' A' ' 60' ' ' LEU . 2.7 tm? -177.3 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 HD12 ' A' ' 59' ' ' LEU . 1.7 mm? -112.61 144.77 31.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.0 145.51 44.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.677 HG23 ' CB ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -72.03 -50.84 25.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.416 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -35.44 75.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.36 -51.92 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.424 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -51.28 -43.74 61.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -69.2 -43.01 75.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 ttpm? -60.2 -42.73 95.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 7.2 t70 -59.58 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -56.69 -41.4 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 6.0 m -55.22 -41.91 72.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -59.54 -43.81 93.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 109.224 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.86 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.82 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 10' ' ' MET . 0.5 OUTLIER -57.29 -44.47 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -47.86 72.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.541 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.5 mt-10 -57.23 -31.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' GLY . 2.4 tm? -83.23 -34.84 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.73 -47.4 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -37.36 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.816 HD12 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -85.52 -74.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.22 55.73 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.545 ' HB ' HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -90.28 -11.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HG ' HG13 ' A' ' 83' ' ' VAL . 49.3 mt -128.27 6.76 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -67.19 -14.89 63.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.79 -21.66 66.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -16.52 23.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 49' ' ' ASN . 35.8 mt -107.54 152.1 24.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.401 HD11 ' CD2' ' A' ' 11' ' ' TYR . 2.1 pp -127.65 172.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.57 153.99 19.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.454 ' HA ' HG21 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -32.15 56.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.78 -2.91 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.4 p -53.88 161.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 11.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.373 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.32 98.85 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.01 -175.95 20.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.83 -76.59 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -60.52 -32.16 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' SD ' ' A' ' 10' ' ' MET . 15.3 m -65.41 -32.42 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.651 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 1.3 mt -68.01 -46.94 80.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -42.47 -31.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 mmt -82.64 -41.43 19.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.507 ' HA ' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -72.08 -39.06 69.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.651 ' CD1' ' CG2' ' A' ' 7' ' ' ILE . 2.5 m-30 -64.89 -37.55 88.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -50.92 -39.02 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.81 ' CG ' HG22 ' A' ' 75' ' ' VAL . 1.2 t80 -64.08 -40.21 95.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.585 ' SG ' HD13 ' A' ' 17' ' ' LEU . 10.4 t -73.27 -31.13 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -54.64 -17.88 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.607 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 4.3 mtt180 -68.71 -3.92 13.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD13 ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -58.74 162.69 6.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.93 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.42 -21.16 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 23' ' ' PHE . 17.7 t70 -76.68 127.65 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.71 -20.03 51.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.45 8.09 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.94 128.46 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 2.2 mm100 -92.51 153.89 42.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.496 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -75.01 122.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 25' ' ' PRO . 6.7 mtmt 166.89 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HA ' HD23 ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.0 168.17 25.42 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.76 149.13 43.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.37 133.09 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.91 132.69 21.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.709 ' CG ' HG23 ' A' ' 63' ' ' THR . 14.8 m-85 -117.28 137.43 52.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' O ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -119.67 109.43 38.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 126.07 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 35' ' ' ASP . 18.8 t -134.37 167.71 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.5 m-20 -63.98 166.36 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -13.03 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.01 -5.87 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -165.86 34.88 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 36.59 -124.18 0.89 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.815 ' C ' HD13 ' A' ' 41' ' ' ILE . 88.1 m -127.37 151.88 48.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 0.734 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.859 HD12 ' OG ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -102.4 119.61 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.832 ' SG ' ' HB2' ' A' ' 70' ' ' ALA . 3.7 p -95.19 127.49 41.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -121.19 109.43 14.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -119.61 136.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 t -141.26 128.31 20.75 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.913 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.8 mt -94.89 165.5 16.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.43 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.57 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 5.4 m-80 -67.38 -16.12 64.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.36 141.44 30.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.619 ' HG3' HD23 ' A' ' 84' ' ' LEU . 18.2 Cg_endo -75.01 -80.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.757 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -104.72 169.87 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.913 ' CB ' HD12 ' A' ' 46' ' ' LEU . 3.2 t 149.52 -17.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.621 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -68.23 136.33 53.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.71 ' HB ' ' HB1' ' A' ' 70' ' ' ALA . 5.9 mm -144.14 113.05 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 20.5 mt-10 -126.38 110.04 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.5 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -77.6 167.05 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.698 ' CD2' HD22 ' A' ' 60' ' ' LEU . 8.2 tt -178.49 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -118.27 140.42 28.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.479 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.08 1.62 7.57 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -118.69 147.57 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.709 HG23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 m -71.34 -45.82 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 8.5 mt-10 -57.77 -42.13 83.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.584 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -78.21 -48.25 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -49.75 -40.91 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -68.87 -36.22 77.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 ttpm? -59.66 -34.6 73.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.389 1.056 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.448 ' OD1' HD13 ' A' ' 59' ' ' LEU . 15.9 t70 -64.08 -63.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.832 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -56.28 -35.74 67.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.7 m -65.88 -47.07 76.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 72' ' ' LEU . 7.3 mt -65.49 -46.85 78.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.64 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB1' ' CE1' ' A' ' 13' ' ' TYR . . . -64.46 -43.53 93.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 71' ' ' CYS . 4.1 t -58.17 -47.28 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.63 85.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.3 -31.19 65.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.5 tm? -88.08 -29.72 20.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' VAL . 2.0 t-80 -72.81 -46.57 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.99 -36.53 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.449 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -94.85 -77.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 56.92 60.78 8.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 84' ' ' LEU . 7.4 p -106.5 -12.43 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.619 HD23 ' HG3' ' A' ' 51' ' ' PRO . 3.6 mm? -115.45 29.89 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -59.09 -15.92 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -78.82 -22.16 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 1.3 t80 -88.11 -22.77 23.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 89' ' ' LEU . 2.2 pp -106.73 153.42 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -65.23 132.51 95.31 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -161.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.581 1.832 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -62.35 -19.39 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -44.09 74.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.073 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -82.8 -14.66 54.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ILE . 25.6 t0 -78.25 -7.85 57.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -68.94 59.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.544 ' HB ' HD22 ' A' ' 100' ' ' LEU . 2.1 pt -145.1 172.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.36 152.46 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -60.31 -38.33 83.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -77.12 -35.4 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.544 HD22 ' HB ' ' A' ' 96' ' ' ILE . 2.0 tt -58.12 -48.97 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.464 ' CB ' HD11 ' A' ' 96' ' ' ILE . 4.9 t -55.15 170.12 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.068 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.562 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.7 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 1' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -149.93 169.85 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.85 -62.98 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.31 83.64 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -70.79 -35.19 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -31.87 71.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 9' ' ' MET . 1.5 mm -66.0 -35.64 75.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -40.12 -30.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.962 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 7' ' ' ILE . 5.1 mmt -96.79 -37.3 10.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.735 ' HA ' HG11 ' A' ' 75' ' ' VAL . 4.8 mtt -67.65 -30.52 70.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.629 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.8 OUTLIER -67.98 -53.25 27.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.534 ' HZ1' HD12 ' A' ' 89' ' ' LEU . 1.1 mmmp? -37.44 -37.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.641 ' OH ' HG21 ' A' ' 44' ' ' ILE . 10.4 t80 -75.99 -44.78 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.4 m -65.75 -40.74 92.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -48.3 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' CB ' ' A' ' 27' ' ' PRO . 30.9 mtt85 -69.61 -2.21 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -64.72 161.0 49.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.01 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 58.49 14.37 2.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 32.9 t70 -101.68 137.26 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -35.85 50.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -81.85 7.96 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.475 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.44 127.63 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.466 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -110.79 153.43 43.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.85 119.99 5.92 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 165.55 -53.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.03 162.31 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 45.0 mt-10 -142.06 137.12 30.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -135.56 134.65 39.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.37 27.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD2' ' CG2' ' A' ' 63' ' ' THR . 5.5 m-85 -115.46 138.34 51.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.644 ' O ' HG23 ' A' ' 40' ' ' THR . 2.6 ttmm -109.17 113.19 59.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 101.26 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.764 . . . . 0.0 110.991 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 35' ' ' ASP . 40.5 t -100.72 169.27 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 34' ' ' VAL . 2.9 t0 -63.55 164.13 10.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.385 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -11.27 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.88 16.06 4.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -173.79 33.06 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 35.46 -132.64 0.64 Allowed Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.963 HG21 ' OG1' ' A' ' 63' ' ' THR . 4.2 m -133.06 147.68 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.847 HG22 ' CB ' ' A' ' 58' ' ' SER . 1.4 pt -110.84 134.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 9.0 t -103.93 129.35 51.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HA ' ' CG ' ' A' ' 56' ' ' GLU . 31.3 ttp180 -107.39 108.46 19.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.641 HG21 ' OH ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -117.61 137.13 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.3 t -145.4 120.19 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.096 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -85.67 168.2 20.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.0 168.08 25.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -16.36 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 2.1 m-80 -67.44 -18.22 65.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.38 140.4 30.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HG3' HD23 ' A' ' 84' ' ' LEU . 18.3 Cg_endo -75.03 -75.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.667 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.2 165.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.096 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.8 m 150.1 -18.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.753 ' O ' HD13 ' A' ' 55' ' ' ILE . 4.7 pt-20 -70.73 136.27 48.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.8 mm -147.08 122.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 57' ' ' SER . 0.8 OUTLIER -138.46 118.71 13.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 164.01 145.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.847 ' CB ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -76.32 164.57 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.589 1.181 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.668 HD22 HD22 ' A' ' 60' ' ' LEU . 7.2 tt -176.48 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD22 HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.3 143.41 29.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.223 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.444 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.01 2.63 6.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -126.95 145.39 50.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.963 ' OG1' HG21 ' A' ' 40' ' ' THR . 0.9 OUTLIER -71.89 -40.19 69.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 23.5 mt-10 -57.97 -44.17 86.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.18 -48.45 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.13 -41.17 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -65.95 -35.84 81.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.552 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 6.5 mttt -67.57 -33.9 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' HD13 ' A' ' 59' ' ' LEU . 9.9 t70 -62.23 -64.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.4 -36.95 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.3 m -65.03 -47.16 78.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 108.346 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.51 -47.45 69.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -33.02 73.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB1' ' HH ' ' A' ' 13' ' ' TYR . . . -66.52 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 71' ' ' CYS . 22.0 t -55.65 -40.38 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.623 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.4 -30.98 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 88' ' ' LEU . 6.5 tp -86.75 -31.43 20.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.8 t-80 -72.43 -46.63 54.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -61.15 -34.53 75.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.667 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -92.59 -78.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 54.87 61.28 7.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.44 -7.45 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -114.55 30.23 7.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -53.66 -20.32 5.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.84 -21.76 66.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 14.9 t80 -92.76 -15.39 26.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 78' ' ' LEU . 87.1 mt -84.21 153.91 23.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.852 HD22 ' HG3' ' A' ' 93' ' ' LYS . 1.9 mt -65.09 160.72 54.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -75.6 -20.25 58.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.374 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -56.59 -37.1 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.852 ' HG3' HD22 ' A' ' 89' ' ' LEU . 14.5 mmtm -82.09 -5.77 58.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 12.5 t0 -69.52 -15.14 63.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.6 59.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 pp -123.99 172.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.225 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -121.59 151.96 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.226 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -36.71 85.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.65 -32.89 60.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.71 -3.39 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.629 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 83.6 p -54.3 145.29 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.7 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t 74.15 146.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.86 109.01 2.05 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.432 1.083 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.85 93.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -71.25 -37.16 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -61.61 -35.02 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 11' ' ' TYR . 1.2 mm -68.49 -32.77 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 9' ' ' MET . 14.6 t -37.3 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.623 ' HG2' ' CE1' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -95.25 -51.74 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.483 ' HA ' HG21 ' A' ' 75' ' ' VAL . 13.4 ttt -60.29 -21.0 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.3 OUTLIER -71.43 -53.59 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.81 -44.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.44 -53.46 57.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 22.7 m -57.59 -41.3 80.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -18.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -76.88 4.82 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -57.22 114.61 8.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.04 146.73 32.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.0 t-160 87.17 -16.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.07 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 22' ' ' PHE . 24.4 t70 -80.45 124.14 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.246 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -57.07 -24.56 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CB ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -83.93 7.62 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.32 133.0 55.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.02 150.37 41.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 118.31 5.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.796 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 176.0 -57.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 18.6 Cg_endo -74.83 149.55 37.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.735 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.4 mt-10 -140.57 135.01 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -134.97 144.02 47.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -142.99 136.07 28.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 10.8 p90 -116.39 139.07 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.817 ' HG2' HG23 ' A' ' 34' ' ' VAL . 5.6 ttmt -110.26 110.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 88.81 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.817 HG23 ' HG2' ' A' ' 32' ' ' LYS . 16.9 t -98.7 165.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -62.58 157.67 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -9.68 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.71 -9.7 3.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.78 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.628 1.205 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 130.19 -145.35 16.56 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.915 HG21 ' HA ' ' A' ' 63' ' ' THR . 3.3 m -120.77 139.65 52.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.412 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.798 HD13 ' C ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.13 120.11 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 42.6 t -103.78 156.6 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.0 ttt180 -144.84 107.98 4.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -120.28 135.2 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.73 120.72 12.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 110.39 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.92 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.4 mt -86.61 165.82 30.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.3 Cg_endo -75.02 167.46 26.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -20.75 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 79.1 m-20 -68.71 -15.87 63.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.819 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.61 128.98 25.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' HD23 ' A' ' 84' ' ' LEU . 18.4 Cg_endo -75.01 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.847 HG13 HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.8 160.11 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.92 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.1 m 149.28 -16.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.767 ' O ' HD13 ' A' ' 55' ' ' ILE . 6.8 mt-10 -71.65 132.41 44.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 54' ' ' GLU . 4.5 mm -149.23 119.69 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 57' ' ' SER . 3.2 pt-20 -143.63 128.46 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER 155.24 140.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.738 ' HB3' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -72.73 159.12 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.557 HD22 HD22 ' A' ' 60' ' ' LEU . 8.9 tt -177.4 -32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD22 HD22 ' A' ' 59' ' ' LEU . 1.2 mm? -112.23 139.8 22.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -74.96 2.02 7.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.595 1.839 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -121.57 148.25 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.961 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.915 ' HA ' HG21 ' A' ' 40' ' ' THR . 98.3 m -71.94 -52.56 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.03 -39.98 63.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ASP . . . -78.51 -48.45 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.217 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.524 ' CB ' ' HB ' ' A' ' 40' ' ' THR . . . -53.59 -47.89 69.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 9.1 pttt -68.98 -35.49 76.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.573 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -67.96 -34.71 77.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' HD23 ' A' ' 60' ' ' LEU . 8.8 t70 -61.36 -61.46 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -57.37 -37.08 72.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 1.3 m -65.34 -48.12 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.629 1.206 . . . . 0.0 108.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -62.47 -45.86 91.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -33.21 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.63 72.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 10' ' ' MET . 5.0 t -56.7 -47.84 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -63.7 -45.62 89.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.564 ' O ' HD13 ' A' ' 52' ' ' ILE . 14.9 mm-40 -54.75 -28.69 50.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.915 HD11 HD21 ' A' ' 84' ' ' LEU . 13.8 tp -91.11 -32.58 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.623 ' CE1' ' HG2' ' A' ' 9' ' ' MET . 0.8 OUTLIER -73.54 -47.67 39.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.643 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -90.96 -75.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 57.24 60.56 8.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.572 ' HB ' HD22 ' A' ' 81' ' ' LEU . 5.3 p -114.16 8.86 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.786 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.915 HD21 HD11 ' A' ' 78' ' ' LEU . 1.1 pp -117.13 28.27 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.581 ' HA ' HD23 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.63 -18.77 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.621 1.2 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -80.58 -21.83 41.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 97.5 m-85 -95.85 -16.26 21.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -85.6 152.44 23.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' A' ' 92' ' ' SER . 1.4 mt -65.79 123.92 86.1 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -91.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -74.86 -22.97 58.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.734 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -60.18 -44.47 95.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.579 ' HD3' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -77.13 -1.07 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 8.0 t70 -69.51 -11.24 60.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -120.57 65.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.526 ' HB ' ' CE2' ' A' ' 11' ' ' TYR . 1.8 pp -125.33 140.23 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.438 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 37.5 mt-10 -123.24 152.72 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.64 -41.12 94.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.25 -34.02 55.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.438 ' CB ' ' HB2' ' A' ' 97' ' ' GLU . 2.9 tp -66.22 -11.61 51.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.611 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 33.3 t -54.63 152.0 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.409 1.068 . . . . 0.0 109.235 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.92 155.31 41.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' SER . . . 161.76 -152.96 23.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.34 93.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER -68.72 -39.48 80.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 0.754 . . . . 0.0 110.052 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -57.53 -34.84 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 9' ' ' MET . 1.1 mm -68.36 -32.04 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 4.3 t -37.27 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG2' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mpp? -95.64 -52.48 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.533 ' HA ' HG21 ' A' ' 75' ' ' VAL . 53.9 mtt -60.04 -20.95 60.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ILE . 1.4 t80 -68.41 -57.64 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.49 -43.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -55.31 -53.79 51.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.924 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -62.31 -42.71 99.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.54 1.15 . . . . 0.0 108.262 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -53.55 -17.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.519 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.61 -6.99 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.27 116.56 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -42.01 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.48 -20.26 4.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.595 ' OD1' ' CD2' ' A' ' 23' ' ' PHE . 32.2 t70 -76.5 126.48 31.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.82 -36.26 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -65.03 -9.79 24.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 22.9 m-85 -128.69 130.41 47.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.46 154.45 81.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.04 162.08 37.6 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.498 1.788 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 8.3 mttt 165.63 -52.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.01 160.95 39.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.0 mt-10 -140.24 138.27 34.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.8 p90 -133.08 141.36 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.58 145.19 31.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -113.87 136.98 52.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' HD12 ' A' ' 41' ' ' ILE . 1.9 tppt? -112.52 110.57 52.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.71 5.33 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 41' ' ' ILE . 40.5 t -124.52 169.43 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.535 ' N ' HG12 ' A' ' 34' ' ' VAL . 11.1 m-20 -63.1 164.49 8.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -10.99 20.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.34 7.36 8.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.65 35.65 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.29 -126.3 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.501 HG21 ' HA ' ' A' ' 63' ' ' THR . 0.9 OUTLIER -132.44 150.33 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 110.465 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.551 HG23 ' CA ' ' A' ' 57' ' ' SER . 11.3 mt -105.62 146.9 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 70' ' ' ALA . 2.3 t -122.73 129.0 51.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 108.01 17.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -118.47 137.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 45' ' ' THR . 0.6 OUTLIER -146.81 114.37 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.857 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.5 mt -77.89 164.68 55.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.38 16.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.605 1.845 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.15 -18.72 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.78 -16.62 64.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.15 134.16 24.02 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.655 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -123.5 167.06 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.857 ' CB ' HD12 ' A' ' 46' ' ' LEU . 3.3 t 146.29 -14.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.073 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.677 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -66.98 137.95 56.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HG3' ' A' ' 77' ' ' GLU . 5.6 mm -144.66 126.49 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' SER . 16.4 mt-10 -141.07 109.26 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.551 ' CA ' HG23 ' A' ' 41' ' ' ILE . 1.0 OUTLIER 163.3 137.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' THR . 1.9 p -76.08 169.78 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -177.22 -33.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.376 1.048 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.734 HD22 HD12 ' A' ' 59' ' ' LEU . 1.6 mm? -111.78 140.41 23.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.05 1.41 7.79 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.515 1.797 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -115.63 146.53 41.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.954 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.501 ' HA ' HG21 ' A' ' 40' ' ' THR . 98.8 m -71.37 -52.16 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.4 -36.13 73.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.28 -50.07 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 62' ' ' SER . . . -48.37 -43.04 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 4.6 pttt -69.71 -36.49 75.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 tttt -60.69 -34.63 74.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.81 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.639 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -56.78 -32.51 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.319 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -68.04 -45.64 73.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -33.33 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' SER . . . -70.59 -35.63 73.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 10' ' ' MET . 24.2 t -61.88 -48.41 88.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.56 -41.38 88.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.737 ' HG3' HD11 ' A' ' 55' ' ' ILE . 1.7 mm-40 -56.43 -28.63 59.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.3 tm? -93.76 -32.47 13.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.583 ' CE1' ' HG2' ' A' ' 9' ' ' MET . 1.0 OUTLIER -73.16 -46.46 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.37 -49.56 75.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.03 -72.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.69 56.37 3.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.63 -7.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 25.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.2 -15.39 63.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -76.43 -21.87 55.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -94.76 -16.66 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.56 150.11 24.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.15 124.01 90.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -161.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.641 1.864 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.33 -22.22 13.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 p -73.84 -49.13 26.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.984 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -18.85 63.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.78 -22.3 21.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 40.51 73.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -121.95 171.0 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.594 ' N ' HG22 ' A' ' 96' ' ' ILE . 5.8 mm-40 -113.92 154.36 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -59.1 -36.96 76.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.01 -33.01 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.14 -1.46 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.458 ' HG ' HG21 ' A' ' 7' ' ' ILE . 28.5 m -54.93 155.67 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 1' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -46.89 146.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.23 108.95 3.75 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.85 58.73 0.5 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -65.86 -31.76 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 11' ' ' TYR . 1.2 mm -66.29 -41.22 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.436 ' HB2' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -40.95 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -44.23 11.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.721 ' HA ' HG21 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -69.34 -57.74 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.949 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -49.78 -38.65 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -48.13 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 75' ' ' VAL . 4.9 t80 -52.11 -44.42 64.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 t -63.35 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 108.228 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -60.8 -13.84 17.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CG ' ' A' ' 27' ' ' PRO . 11.1 mmt180 -65.8 -2.79 4.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.59 HD11 ' CD ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.41 131.82 76.42 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -35.04 3.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -65.06 -11.19 36.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.7 121.42 35.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.39 -23.26 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.06 -9.41 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 15' ' ' SER . 2.3 t80 -132.34 148.69 52.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -81.2 153.17 71.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.0 159.31 41.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.433 1.754 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 11.3 mttt 165.13 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.501 ' CG ' ' HB3' ' A' ' 16' ' ' ARG . 18.1 Cg_endo -75.1 -173.73 1.69 Allowed 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.04 132.97 25.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -137.59 135.11 36.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -145.53 133.52 21.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -117.11 138.97 51.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' CG ' ' HB ' ' A' ' 41' ' ' ILE . 5.0 ttmt -107.2 116.24 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 73.2 4.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG11 HG12 ' A' ' 41' ' ' ILE . 2.5 p -77.64 166.42 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' VAL . 1.5 m-20 -64.05 170.94 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -11.67 24.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.22 -8.78 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.11 47.63 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 37.01 -113.15 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.882 HG21 ' OG1' ' A' ' 63' ' ' THR . 94.1 m -133.11 145.28 50.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.608 HD13 ' HB3' ' A' ' 58' ' ' SER . 15.4 mm -95.94 133.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 5.3 t -113.25 148.9 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' GLN . 5.5 ttt180 -145.11 106.0 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.321 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.623 HG22 HG13 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -122.74 135.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.91 128.94 17.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.958 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.5 mt -92.04 167.38 15.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.3 Cg_endo -74.99 168.8 24.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.407 1.74 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.37 -16.53 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -17.11 64.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.21 141.63 30.83 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 81' ' ' LEU . 18.6 Cg_endo -74.94 -76.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.36 166.73 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.958 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.2 m 152.47 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 8.3 pt-20 -54.32 136.98 42.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.867 ' HB ' ' HB1' ' A' ' 70' ' ' ALA . 0.5 OUTLIER -145.98 115.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 21.1 mt-10 -143.18 108.51 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.218 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 168.76 125.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.608 ' HB3' HD13 ' A' ' 41' ' ' ILE . 81.0 p -75.31 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.829 ' CD1' HD22 ' A' ' 60' ' ' LEU . 2.9 tm? -178.41 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.829 HD22 ' CD1' ' A' ' 59' ' ' LEU . 1.3 mm? -110.97 145.98 33.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -123.28 145.45 48.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.969 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.882 ' OG1' HG21 ' A' ' 40' ' ' THR . 1.3 m -68.54 -51.25 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -44.37 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.92 -49.19 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -53.52 -47.85 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.59 ' CD ' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -69.55 -35.18 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 ttpt -66.62 -35.5 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' HD23 ' A' ' 60' ' ' LEU . 10.9 t70 -64.48 -60.85 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.867 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.39 -47.46 81.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.465 ' N ' HD13 ' A' ' 55' ' ' ILE . 1.7 t -53.14 -42.35 66.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.512 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.9 mt -58.67 -42.96 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.42 -31.34 62.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 55' ' ' ILE . . . -61.64 -51.52 68.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' A' ' 10' ' ' MET . 5.0 p -56.92 -38.16 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -61.16 -46.09 91.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -56.5 -30.78 63.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -90.19 -33.51 16.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -65.36 -45.68 83.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.604 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.93 -27.72 69.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 51' ' ' PRO . 2.0 tp -93.08 -77.77 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 75.86 55.38 4.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -117.09 -6.07 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -129.17 18.9 5.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 88' ' ' LEU . 12.1 p30 -60.5 -15.16 24.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.75 -21.67 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' HB2' HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -76.74 -16.17 59.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -84.82 152.97 23.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.84 HD22 ' CB ' ' A' ' 92' ' ' SER . 6.3 mt -66.02 129.57 94.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -91.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -75.69 -22.0 57.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.84 ' CB ' HD22 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -63.46 -46.13 87.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.44 1.087 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' O ' ' CG1' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -69.76 -7.96 43.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 19.7 t0 -69.74 -8.15 45.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -128.01 61.73 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 8' ' ' SER . 2.1 pp -132.73 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 16.7 mt-10 -123.35 153.2 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.211 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -33.61 57.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 97' ' ' GLU . 14.5 tp -70.23 -41.29 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 25.2 m -54.54 160.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.051 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.571 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.76 136.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.389 1.056 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.33 -86.94 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -171.42 59.65 0.17 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -60.9 -26.71 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -59.45 -32.8 70.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.531 HG23 ' CG ' ' A' ' 11' ' ' TYR . 1.2 mm -69.12 -41.4 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 68.9 m -43.3 -29.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -43.36 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.973 ' HA ' HG21 ' A' ' 75' ' ' VAL . 54.3 mtm -72.36 -65.29 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -42.27 -38.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -49.45 -48.56 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 8.1 t80 -51.24 -41.71 60.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.43 -31.12 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 17' ' ' LEU . 3.1 t -59.02 -16.54 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' NE ' ' HG3' ' A' ' 27' ' ' PRO . 28.2 mtt85 -69.64 3.14 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.692 HD21 ' NZ ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -57.47 156.09 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -74.99 149.83 37.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.9 t-80 82.04 -7.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 26.8 t70 -81.33 122.1 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -75.81 -25.02 55.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 8.2 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CE1' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -111.19 143.83 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.074 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.625 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 5.3 mm100 -101.92 155.42 36.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 109.33 2.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -179.63 -59.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -74.97 154.25 42.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.3 mm-40 -141.59 139.35 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -135.16 144.37 47.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.59 144.14 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -114.89 137.24 52.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.551 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -108.85 116.25 56.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 HG13 ' A' ' 41' ' ' ILE . 2.2 t -117.91 168.38 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.41 ' H ' HG12 ' A' ' 34' ' ' VAL . 77.3 m-20 -64.53 162.51 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.56 -14.26 28.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.24 15.98 5.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -164.65 31.8 0.25 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.01 -135.64 0.54 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 58' ' ' SER . 20.4 m -129.38 144.36 51.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG23 ' CA ' ' A' ' 57' ' ' SER . 21.8 mt -105.33 139.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 86.0 m -124.68 124.78 42.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.19 111.9 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -109.84 138.19 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -137.7 126.08 23.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.024 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.2 mt -95.01 167.67 12.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HG3' ' CD ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.06 165.7 30.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -18.79 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -66.82 -17.94 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.025 ' HB2' HD21 ' A' ' 88' ' ' LEU . . . -120.59 133.11 24.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -69.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.3 pp -105.3 161.07 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.024 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.2 m 152.06 -19.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.718 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.1 pt-20 -67.48 135.53 53.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 54' ' ' GLU . 5.3 mm -147.01 121.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -139.2 115.29 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.558 ' CA ' HG23 ' A' ' 41' ' ' ILE . 4.8 t 167.81 142.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.5 ' CB ' HG12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -75.07 162.68 28.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.658 HD12 HD22 ' A' ' 60' ' ' LEU . 2.8 tm? -175.74 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.658 HD22 HD12 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -113.72 141.44 26.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.471 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.0 1.67 7.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -120.21 150.24 40.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 22.3 m -71.27 -52.11 20.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -43.97 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.586 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -74.64 -48.37 26.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 62' ' ' SER . . . -51.09 -47.02 61.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.692 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -69.21 -35.99 76.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.544 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 25.4 tttt -59.29 -36.32 75.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.08 -63.56 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.606 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.73 -35.14 70.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 m -65.81 -47.28 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 4.2 mt -66.56 -39.54 88.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -71.21 -32.87 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -66.38 -50.39 63.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.973 HG21 ' HA ' ' A' ' 10' ' ' MET . 8.5 p -64.06 -39.77 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -47.87 79.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.2 -31.25 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.5 tm? -85.09 -32.99 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.52 -46.53 54.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -83.29 -71.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 48.39 59.64 6.34 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HB ' HD22 ' A' ' 81' ' ' LEU . 9.9 p -99.26 -13.16 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' A' ' 87' ' ' PHE . 1.4 mt -126.77 23.84 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -56.25 -18.81 11.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.55 -22.1 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CG ' HD22 ' A' ' 84' ' ' LEU . 1.2 m-85 -93.3 -17.21 23.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.025 HD21 ' HB2' ' A' ' 50' ' ' ALA . 1.6 mt -107.44 150.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 124.07 77.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -163.82 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 95' ' ' GLU . 9.5 p-10 -105.89 -21.96 13.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.4 p -60.72 -49.47 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -21.52 64.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.84 -33.35 15.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.4 mm-40 43.61 64.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 110.27 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.595 HG22 ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -122.69 171.23 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.595 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.7 pt-20 -98.89 152.16 20.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -63.15 -15.78 57.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.71 -39.39 44.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -74.97 -40.89 60.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 24.1 m -54.74 160.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.57 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 12.1 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.68 -83.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.62 63.91 0.21 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.478 ' HA3' HD13 ' A' ' 7' ' ' ILE . . . -58.0 97.28 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -76.16 -53.31 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.969 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -61.78 -44.3 97.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.3 mp -59.81 -50.83 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 7' ' ' ILE . 21.4 p -33.1 -35.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 7' ' ' ILE . 3.8 tpt -95.95 -42.28 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.868 ' HA ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.59 -19.03 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 111.037 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.621 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -70.94 -54.49 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -36.57 -40.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.08 -54.52 43.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 0.0 111.056 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' HB3' ' CA ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -64.98 -29.96 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.341 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -52.33 -17.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -69.6 6.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.737 HD23 ' OD1' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -53.06 115.09 6.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.04 78.3 2.94 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER 160.87 -23.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.93 119.65 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -78.76 -19.5 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -62.97 -25.07 68.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 15' ' ' SER . 16.4 t80 -132.7 149.19 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -87.97 153.83 52.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.15 4.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.41 -51.53 1.92 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.403 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.01 162.8 36.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -140.04 162.3 35.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 20.8 m-30 -134.3 143.17 47.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -140.96 132.83 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CB ' ' CG2' ' A' ' 63' ' ' THR . 32.0 p90 -116.45 134.29 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.26 118.83 43.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 111.78 3.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 41' ' ' ILE . 19.1 t -121.93 169.48 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.8 t0 -63.41 159.82 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.93 -12.02 22.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -7.15 25.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -160.7 48.84 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 34.35 -125.36 0.51 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 58' ' ' SER . 7.2 m -132.16 149.19 52.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 0.807 . . . . 0.0 110.395 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.62 ' CD1' HG21 ' A' ' 34' ' ' VAL . 35.5 mt -97.52 140.2 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 67' ' ' LYS . 57.1 m -123.12 129.54 51.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.3 ttm180 -112.23 109.46 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -100.32 136.91 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -143.2 121.8 12.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.022 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.3 mt -93.36 167.43 14.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HG3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 171.2 18.79 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -15.38 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.98 -18.17 64.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.55 138.93 27.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' HG2' HD12 ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.09 -69.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.637 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.67 170.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.022 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.8 t 146.97 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.941 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.737 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.2 pt-20 -64.92 133.46 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.4 mm -148.08 128.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 12.7 mt-10 -142.0 114.3 8.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.7 p 166.12 135.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.42 169.73 17.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.647 HD12 HD22 ' A' ' 60' ' ' LEU . 2.9 tm? -176.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD22 HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -112.53 149.79 41.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.445 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.4 Cg_endo -74.91 1.68 7.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -128.45 146.13 50.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.461 ' CG2' ' CB ' ' A' ' 31' ' ' PHE . 1.1 m -71.36 -41.57 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.6 mt-10 -56.85 -45.21 82.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.01 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.93 -39.49 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.541 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -68.99 -35.51 76.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.541 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.1 ttmt -58.72 -34.83 71.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.91 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.26 -30.21 64.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 13.8 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD13 ' SD ' ' A' ' 10' ' ' MET . 0.4 OUTLIER -68.39 -44.26 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -55.59 -34.23 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.35 76.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.868 HG21 ' HA ' ' A' ' 10' ' ' MET . 40.7 t -56.45 -47.16 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -47.64 85.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -31.29 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' GLY . 27.6 tp -85.15 -32.95 22.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.3 t-160 -72.92 -47.0 49.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.542 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -59.96 -40.44 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.592 HD13 ' H ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -91.98 -78.99 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 38.03 54.4 1.98 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.592 ' H ' HD13 ' A' ' 81' ' ' LEU . 2.1 t -102.62 0.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.41 30.76 6.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.406 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 16.3 p-10 -53.92 -19.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.08 -21.48 66.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -94.42 -16.43 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -99.48 154.46 18.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.814 HD12 ' CA ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -63.48 121.82 72.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -92.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 2.6 p30 -71.01 -22.45 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.476 ' CB ' ' HB2' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -61.63 -35.21 77.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.935 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.814 ' CA ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.27 -2.89 30.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 20.3 t70 -69.5 -9.1 52.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 95' ' ' GLU . 3.3 pt-20 -108.26 42.16 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.511 HD13 ' HD2' ' A' ' 11' ' ' TYR . 1.4 pp -124.8 138.06 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -123.14 153.59 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.558 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -58.74 -34.28 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.2 -32.42 49.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HA ' HD12 ' A' ' 100' ' ' LEU . 11.8 tp -67.11 -8.01 27.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.621 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 91.6 p -53.28 136.6 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.945 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.737 ' OD1' HD23 ' A' ' 17' ' ' LEU . 29.3 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 47.73 79.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.035 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.1 -70.05 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.46 53.37 0.31 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 p -60.88 -43.52 98.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 110.029 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -31.88 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' MET . 1.6 mt -61.02 -44.05 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 m -39.69 -31.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.421 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -82.5 -46.6 13.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.543 ' HA ' HG21 ' A' ' 75' ' ' VAL . 1.3 mpt? -64.06 -71.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -40.61 -28.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.687 ' HZ3' HD12 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -57.8 -48.58 79.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 74' ' ' ALA . 4.8 t80 -50.61 -39.23 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -37.0 82.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -77.51 -16.17 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.1 mtt-85 -71.84 4.84 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -56.57 160.9 4.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.87 10.46 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.688 ' HB2' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.01 -2.6 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 26.1 t70 -97.32 119.56 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.28 -28.58 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.69 -8.21 13.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -129.19 140.13 51.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 6.3 pm0 -62.19 155.25 66.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 48.6 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.598 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -94.65 -64.18 0.13 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 150.28 38.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.67 ' O ' HD13 ' A' ' 44' ' ' ILE . 4.8 mt-10 -141.22 139.38 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -135.87 140.08 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.98 143.18 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -115.48 134.94 54.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -104.47 115.85 62.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.85 3.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 35' ' ' ASP . 21.4 t -117.67 167.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -64.45 163.59 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -13.96 25.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -84.14 14.21 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.24 29.9 0.17 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.8 -137.93 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.784 HG21 ' HA ' ' A' ' 63' ' ' THR . 5.8 m -125.95 141.28 52.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.463 HG23 ' CA ' ' A' ' 57' ' ' SER . 12.1 mt -100.88 145.03 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.563 ' SG ' ' HB3' ' A' ' 70' ' ' ALA . 5.5 t -124.07 129.83 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.58 108.05 16.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.583 1.177 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -116.72 136.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -143.78 117.98 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 11.8 mt -84.66 164.1 43.95 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.83 19.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -18.21 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -71.46 -14.57 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.852 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.29 133.38 23.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.453 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.98 -73.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.424 1.749 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -106.04 165.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.721 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.4 m 147.96 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.696 ' O ' HD13 ' A' ' 55' ' ' ILE . 15.6 mt-10 -66.72 136.07 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.9 mm -146.8 112.5 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 57' ' ' SER . 20.3 mt-10 -127.43 108.15 10.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 162.22 142.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.35 172.23 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' OD2' ' A' ' 69' ' ' ASP . 8.9 tt -175.72 -34.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 69' ' ' ASP . 1.3 mm? -111.61 143.53 28.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -74.92 1.65 7.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.808 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.13 148.93 43.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.784 ' HA ' HG21 ' A' ' 40' ' ' THR . 79.8 p -71.39 -54.46 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.9 mt-10 -53.5 -35.86 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -80.43 -50.81 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.82 -39.59 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 28.1 pttt -68.76 -36.32 78.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -66.29 -35.61 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.657 ' OD2' HD13 ' A' ' 59' ' ' LEU . 22.0 t70 -59.81 -66.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.625 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -56.55 -38.13 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.899 ' O ' HG23 ' A' ' 75' ' ' VAL . 20.0 m -63.19 -46.78 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 10' ' ' MET . 6.9 mt -67.8 -46.51 71.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -59.91 -35.72 75.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . . . -68.8 -43.74 75.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 71' ' ' CYS . 96.6 t -59.88 -47.43 91.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.596 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.543 ' OE2' ' CA ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -62.74 -28.82 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.2 tm? -88.68 -42.29 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 5.0 t60 -59.69 -46.05 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.654 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -57.17 -28.84 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD22 ' HB ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -97.84 -77.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 58.62 58.46 14.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' HD22 ' A' ' 81' ' ' LEU . 6.7 p -100.4 7.37 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -124.97 24.14 7.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.627 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -55.18 -18.86 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -80.54 -21.94 41.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.26 -16.12 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 85' ' ' ASN . 14.5 mt -85.14 152.95 23.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 92' ' ' SER . 2.5 mt -65.85 124.69 88.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -92.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.536 1.809 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -23.9 59.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.721 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -59.95 -46.46 89.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -13.29 56.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -81.53 -8.56 59.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -110.63 46.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.687 HD12 ' HZ3' ' A' ' 12' ' ' LYS . 1.1 mm -122.1 170.91 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.583 ' N ' HG22 ' A' ' 96' ' ' ILE . 8.6 mm-40 -123.6 153.12 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.42 -40.74 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 -43.29 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.544 HD23 HG23 ' A' ' 96' ' ' ILE . 11.6 tp -54.78 -52.46 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 83.7 p -55.78 146.38 21.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.45 88.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.088 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.41 49.12 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.26 -105.72 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -63.79 -27.16 68.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 110.063 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -57.9 -31.54 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.538 HD13 ' SD ' ' A' ' 10' ' ' MET . 0.4 OUTLIER -60.0 -39.6 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 1.8 t -37.94 -30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 96.8 mmm -82.86 -61.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.763 ' HA ' HG11 ' A' ' 75' ' ' VAL . 5.5 ptp -58.9 -32.56 69.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.686 ' CD2' HD13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -65.45 -51.95 56.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 10.3 mttp -40.06 -36.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.832 ' CD2' HG22 ' A' ' 75' ' ' VAL . 1.2 t80 -69.0 -39.05 79.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' TYR . 1.2 t -76.8 -50.35 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.647 ' CB ' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -47.64 -20.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.583 HH21 ' HB3' ' A' ' 27' ' ' PRO . 10.1 mtp-105 -69.7 1.49 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.957 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.97 151.08 35.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.573 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.9 -38.77 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -14.62 28.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.544 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -80.9 120.53 24.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.1 -29.19 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -3.96 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -132.28 144.51 50.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.25 154.16 57.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.21 3.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 2.8 mttt -78.46 -51.22 1.55 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.583 ' HB3' HH21 ' A' ' 16' ' ' ARG . 18.3 Cg_endo -74.89 -169.21 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -143.1 139.55 30.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -136.57 134.86 37.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.75 137.92 26.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -116.9 131.25 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.575 ' CD ' HD12 ' A' ' 41' ' ' ILE . 3.0 ttmm -115.67 110.48 44.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.43 6.05 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.555 HG21 HG13 ' A' ' 41' ' ' ILE . 16.5 t -114.3 169.65 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -63.43 157.02 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.08 -11.55 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -8.42 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.19 -74.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.09 -129.41 1.99 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -132.43 144.09 50.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 0.0 110.469 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.575 HD12 ' CD ' ' A' ' 32' ' ' LYS . 38.0 mt -100.8 141.42 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.754 ' SG ' HD13 ' A' ' 44' ' ' ILE . 3.2 t -123.06 128.66 50.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.8 ttp180 -109.72 108.49 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.754 HD13 ' SG ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -119.37 135.62 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.44 113.49 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.93 HD12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -74.01 167.23 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.5 Cg_endo -74.97 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.787 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.96 -13.74 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.33 -13.75 60.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.776 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.45 138.82 26.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.04 -77.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.44 1.758 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.704 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.96 166.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.93 ' CB ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER 152.94 -20.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.049 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 11.8 mt-10 -48.29 135.93 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.812 HG21 ' HB2' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -148.72 115.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.364 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 16.5 mt-10 -142.62 102.51 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 166.49 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 40' ' ' THR . 85.1 p -76.64 179.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER 176.57 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.041 HD13 HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -110.35 150.46 41.62 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -120.3 151.22 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 55.1 m -72.22 -52.18 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 8.5 mt-10 -54.36 -37.55 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.847 ' HB1' HD23 ' A' ' 60' ' ' LEU . . . -79.3 -50.3 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 40' ' ' THR . . . -54.96 -48.19 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.957 ' NZ ' HD11 ' A' ' 17' ' ' LEU . 1.6 pttt -68.93 -35.79 77.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.585 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 32.3 tttm -67.01 -41.46 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.709 ' CG ' HD22 ' A' ' 59' ' ' LEU . 12.4 t70 -58.25 -62.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -54.71 -47.92 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.936 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.1 t -56.28 -46.98 79.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 1.163 . . . . 0.0 108.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -59.17 -48.14 82.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -65.58 -32.76 74.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.812 ' HB2' HG21 ' A' ' 55' ' ' ILE . . . -66.42 -41.45 89.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 71' ' ' CYS . 37.1 t -55.72 -40.31 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -46.93 88.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.34 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.0 tm? -86.78 -30.96 21.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.4 t-80 -72.41 -47.24 50.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.517 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -61.7 -28.69 69.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -97.21 -81.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 44.02 62.2 2.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -114.43 -7.73 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mt -117.4 20.11 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -64.63 -15.27 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.49 -21.41 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.91 -16.37 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.29 152.14 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.801 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -65.92 147.14 98.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -105.55 -22.14 13.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 p -73.25 -49.57 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.051 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -74.15 -11.1 60.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -88.51 -24.57 22.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.391 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 94' ' ' ASP . 1.6 mm-40 33.61 75.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.113 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.686 HD13 ' CD2' ' A' ' 11' ' ' TYR . 2.5 pp -127.8 167.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.05 153.04 40.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -60.66 -52.14 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -32.08 65.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.88 0.09 19.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.674 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 58.9 p -53.65 144.45 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' HD13 ' A' ' 17' ' ' LEU . 12.3 t0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.8 pt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 m -147.48 144.18 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.95 165.92 26.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.04 92.17 0.11 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.34 -30.81 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -62.31 -31.87 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -67.65 -32.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' ILE . 28.7 m -36.12 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -99.17 -56.86 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.513 ' HA ' HG11 ' A' ' 75' ' ' VAL . 2.0 tmt? -53.97 -19.32 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' LYS . 2.6 t80 -71.13 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.84 -43.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -51.89 -53.5 40.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 35.3 m -64.45 -45.62 86.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -50.53 -20.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -78.0 4.17 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 20' ' ' ASP . 15.2 tp -58.36 114.53 8.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.13 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -15.4 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.699 ' HB2' HD23 ' A' ' 17' ' ' LEU . 38.3 t70 -82.91 122.57 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -76.04 -28.87 57.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.85 73.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 72.8 t80 -95.5 139.49 31.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CE2' ' A' ' 23' ' ' PHE . 2.8 mp0 -75.22 151.96 85.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -75.0 154.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 6.3 mttp 169.18 -54.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.93 164.6 33.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.66 144.64 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 6.6 p90 -133.18 132.22 41.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.45 136.49 33.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.677 ' CB ' HG23 ' A' ' 63' ' ' THR . 13.1 p90 -114.48 133.74 55.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.751 ' HG2' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.14 118.19 56.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.735 HG21 HG13 ' A' ' 41' ' ' ILE . 10.7 t -125.62 171.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' H ' HG12 ' A' ' 34' ' ' VAL . 2.1 m-20 -61.7 140.73 58.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.58 -11.37 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -63.83 -8.56 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.14 -45.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 139.38 -135.54 7.33 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.566 HG21 ' OG1' ' A' ' 63' ' ' THR . 2.9 m -133.11 153.59 51.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.751 HD12 ' HG2' ' A' ' 32' ' ' LYS . 56.0 mt -98.01 147.24 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -117.06 128.18 54.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 108.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -121.3 108.17 13.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.634 ' HB ' HD11 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -120.59 139.63 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 45' ' ' THR . 5.4 t -143.27 113.65 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.702 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.4 mt -81.52 164.93 47.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -74.95 175.7 10.88 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.11 -24.54 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.665 ' CG ' HD21 ' A' ' 88' ' ' LEU . 22.0 p30 -69.47 -7.98 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -117.67 147.3 40.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CD2' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -75.09 -91.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.816 HG13 HD12 ' A' ' 81' ' ' LEU . 1.2 pp -106.3 175.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.702 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.9 m 151.06 -19.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -53.78 139.52 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.85 ' O ' HD12 ' A' ' 55' ' ' ILE . 2.7 pp -147.06 124.97 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 4.2 mt-10 -141.88 84.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.21 132.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.71 166.33 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.029 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.651 HD12 HD22 ' A' ' 60' ' ' LEU . 2.7 tm? -177.3 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 HD12 ' A' ' 59' ' ' LEU . 1.7 mm? -112.61 144.77 31.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.0 145.51 44.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.677 HG23 ' CB ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -72.03 -50.84 25.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.416 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -35.44 75.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.36 -51.92 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -51.28 -43.74 61.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -69.2 -43.01 75.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 ttpm? -60.2 -42.73 95.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 7.2 t70 -59.58 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -56.69 -41.4 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 6.0 m -55.22 -41.91 72.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -59.54 -43.81 93.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 109.224 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.86 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.82 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 10' ' ' MET . 0.5 OUTLIER -57.29 -44.47 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -47.86 72.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.541 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.5 mt-10 -57.23 -31.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' GLY . 2.4 tm? -83.23 -34.84 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.73 -47.4 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -37.36 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.816 HD12 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -85.52 -74.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.22 55.73 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.545 ' HB ' HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -90.28 -11.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HG ' HG13 ' A' ' 83' ' ' VAL . 49.3 mt -128.27 6.76 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -67.19 -14.89 63.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.79 -21.66 66.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -16.52 23.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 49' ' ' ASN . 35.8 mt -107.54 152.1 24.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -69.3 124.58 90.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -104.15 -22.11 13.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.41 -49.41 22.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.922 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -65.93 -15.06 62.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -89.44 -17.62 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' ASP . 0.7 OUTLIER 36.75 77.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 94' ' ' ASP . 2.1 pp -127.65 172.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.57 153.99 19.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.454 ' HA ' HG21 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -32.15 56.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.78 -2.91 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.4 p -53.88 161.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 11.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.373 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -60.52 -32.16 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' SD ' ' A' ' 10' ' ' MET . 15.3 m -65.41 -32.42 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.651 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 1.3 mt -68.01 -46.94 80.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -42.47 -31.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 mmt -82.64 -41.43 19.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.507 ' HA ' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -72.08 -39.06 69.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.651 ' CD1' ' CG2' ' A' ' 7' ' ' ILE . 2.5 m-30 -64.89 -37.55 88.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -39.02 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.81 ' CG ' HG22 ' A' ' 75' ' ' VAL . 1.2 t80 -64.08 -40.21 95.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.585 ' SG ' HD13 ' A' ' 17' ' ' LEU . 10.4 t -73.27 -31.13 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -54.64 -17.88 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.607 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 4.3 mtt180 -68.71 -3.92 13.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD13 ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -58.74 162.69 6.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.594 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.93 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.42 -21.16 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 23' ' ' PHE . 17.7 t70 -76.68 127.65 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.71 -20.03 51.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.45 8.09 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.94 128.46 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 2.2 mm100 -92.51 153.89 42.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.496 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -75.01 122.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 25' ' ' PRO . 6.7 mtmt 166.89 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HA ' HD23 ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.0 168.17 25.42 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.76 149.13 43.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.37 133.09 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.91 132.69 21.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.709 ' CG ' HG23 ' A' ' 63' ' ' THR . 14.8 m-85 -117.28 137.43 52.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' O ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -119.67 109.43 38.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 126.07 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 35' ' ' ASP . 18.8 t -134.37 167.71 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.5 m-20 -63.98 166.36 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -13.03 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.01 -5.87 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -165.86 34.88 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 36.59 -124.18 0.89 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.815 ' C ' HD13 ' A' ' 41' ' ' ILE . 88.1 m -127.37 151.88 48.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 0.734 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.859 HD12 ' OG ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -102.4 119.61 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.832 ' SG ' ' HB2' ' A' ' 70' ' ' ALA . 3.7 p -95.19 127.49 41.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -121.19 109.43 14.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -119.61 136.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 t -141.26 128.31 20.75 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.913 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.8 mt -94.89 165.5 16.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.43 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.57 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 5.4 m-80 -67.38 -16.12 64.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.36 141.44 30.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.619 ' HG3' HD23 ' A' ' 84' ' ' LEU . 18.2 Cg_endo -75.01 -80.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.757 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -104.72 169.87 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.913 ' CB ' HD12 ' A' ' 46' ' ' LEU . 3.2 t 149.52 -17.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.621 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -68.23 136.33 53.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.71 ' HB ' ' HB1' ' A' ' 70' ' ' ALA . 5.9 mm -144.14 113.05 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 20.5 mt-10 -126.38 110.04 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.5 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -77.6 167.05 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.698 ' CD2' HD22 ' A' ' 60' ' ' LEU . 8.2 tt -178.49 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -118.27 140.42 28.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.479 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.08 1.62 7.57 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -118.69 147.57 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.709 HG23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 m -71.34 -45.82 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 8.5 mt-10 -57.77 -42.13 83.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.584 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -78.21 -48.25 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -49.75 -40.91 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -68.87 -36.22 77.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 ttpm? -59.66 -34.6 73.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.389 1.056 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.448 ' OD1' HD13 ' A' ' 59' ' ' LEU . 15.9 t70 -64.08 -63.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.832 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -56.28 -35.74 67.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.7 m -65.88 -47.07 76.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 72' ' ' LEU . 7.3 mt -65.49 -46.85 78.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.64 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB1' ' CE1' ' A' ' 13' ' ' TYR . . . -64.46 -43.53 93.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 71' ' ' CYS . 4.1 t -58.17 -47.28 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.63 85.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.3 -31.19 65.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.5 tm? -88.08 -29.72 20.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' VAL . 2.0 t-80 -72.81 -46.57 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.99 -36.53 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.449 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -94.85 -77.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 56.92 60.78 8.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 84' ' ' LEU . 7.4 p -106.5 -12.43 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.619 HD23 ' HG3' ' A' ' 51' ' ' PRO . 3.6 mm? -115.45 29.89 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -59.09 -15.92 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -78.82 -22.16 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 1.3 t80 -88.11 -22.77 23.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 89' ' ' LEU . 2.2 pp -106.73 153.42 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.544 ' HB ' HD22 ' A' ' 100' ' ' LEU . 2.1 pt -145.1 172.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.36 152.46 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -60.31 -38.33 83.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -77.12 -35.4 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.544 HD22 ' HB ' ' A' ' 96' ' ' ILE . 2.0 tt -58.12 -48.97 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.464 ' CB ' HD11 ' A' ' 96' ' ' ILE . 4.9 t -55.15 170.12 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.068 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.562 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.7 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -70.79 -35.19 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -31.87 71.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 9' ' ' MET . 1.5 mm -66.0 -35.64 75.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -40.12 -30.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.962 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 7' ' ' ILE . 5.1 mmt -96.79 -37.3 10.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.735 ' HA ' HG11 ' A' ' 75' ' ' VAL . 4.8 mtt -67.65 -30.52 70.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.629 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.8 OUTLIER -67.98 -53.25 27.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.534 ' HZ1' HD12 ' A' ' 89' ' ' LEU . 1.1 mmmp? -37.44 -37.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.641 ' OH ' HG21 ' A' ' 44' ' ' ILE . 10.4 t80 -75.99 -44.78 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.4 m -65.75 -40.74 92.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -48.3 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' CB ' ' A' ' 27' ' ' PRO . 30.9 mtt85 -69.61 -2.21 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -64.72 161.0 49.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.01 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 58.49 14.37 2.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 32.9 t70 -101.68 137.26 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -35.85 50.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -81.85 7.96 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.475 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.44 127.63 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.466 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -110.79 153.43 43.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.85 119.99 5.92 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 165.55 -53.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.03 162.31 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 45.0 mt-10 -142.06 137.12 30.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -135.56 134.65 39.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.37 27.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD2' ' CG2' ' A' ' 63' ' ' THR . 5.5 m-85 -115.46 138.34 51.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.644 ' O ' HG23 ' A' ' 40' ' ' THR . 2.6 ttmm -109.17 113.19 59.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 101.26 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.764 . . . . 0.0 110.991 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 35' ' ' ASP . 40.5 t -100.72 169.27 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 34' ' ' VAL . 2.9 t0 -63.55 164.13 10.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.385 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -11.27 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.88 16.06 4.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -173.79 33.06 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 35.46 -132.64 0.64 Allowed Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.963 HG21 ' OG1' ' A' ' 63' ' ' THR . 4.2 m -133.06 147.68 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.847 HG22 ' CB ' ' A' ' 58' ' ' SER . 1.4 pt -110.84 134.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 9.0 t -103.93 129.35 51.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HA ' ' CG ' ' A' ' 56' ' ' GLU . 31.3 ttp180 -107.39 108.46 19.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.641 HG21 ' OH ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -117.61 137.13 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.3 t -145.4 120.19 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.096 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -85.67 168.2 20.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.0 168.08 25.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -16.36 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 2.1 m-80 -67.44 -18.22 65.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.38 140.4 30.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HG3' HD23 ' A' ' 84' ' ' LEU . 18.3 Cg_endo -75.03 -75.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.667 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.2 165.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.096 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.8 m 150.1 -18.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.753 ' O ' HD13 ' A' ' 55' ' ' ILE . 4.7 pt-20 -70.73 136.27 48.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.8 mm -147.08 122.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 57' ' ' SER . 0.8 OUTLIER -138.46 118.71 13.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 164.01 145.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.847 ' CB ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -76.32 164.57 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.589 1.181 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.668 HD22 HD22 ' A' ' 60' ' ' LEU . 7.2 tt -176.48 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD22 HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.3 143.41 29.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.223 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.444 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.01 2.63 6.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -126.95 145.39 50.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.963 ' OG1' HG21 ' A' ' 40' ' ' THR . 0.9 OUTLIER -71.89 -40.19 69.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 23.5 mt-10 -57.97 -44.17 86.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.18 -48.45 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.13 -41.17 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -65.95 -35.84 81.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.552 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 6.5 mttt -67.57 -33.9 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' HD13 ' A' ' 59' ' ' LEU . 9.9 t70 -62.23 -64.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.4 -36.95 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.3 m -65.03 -47.16 78.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 108.346 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.51 -47.45 69.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -33.02 73.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB1' ' HH ' ' A' ' 13' ' ' TYR . . . -66.52 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 71' ' ' CYS . 22.0 t -55.65 -40.38 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.623 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.4 -30.98 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 88' ' ' LEU . 6.5 tp -86.75 -31.43 20.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.8 t-80 -72.43 -46.63 54.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -61.15 -34.53 75.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.667 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -92.59 -78.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 54.87 61.28 7.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.44 -7.45 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -114.55 30.23 7.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -53.66 -20.32 5.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.84 -21.76 66.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 14.9 t80 -92.76 -15.39 26.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 78' ' ' LEU . 87.1 mt -84.21 153.91 23.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' HZ1' ' A' ' 12' ' ' LYS . 1.9 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 pp -123.99 172.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.225 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -121.59 151.96 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.226 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -36.71 85.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.65 -32.89 60.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.71 -3.39 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.629 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 83.6 p -54.3 145.29 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.7 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -71.25 -37.16 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -61.61 -35.02 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 11' ' ' TYR . 1.2 mm -68.49 -32.77 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 9' ' ' MET . 14.6 t -37.3 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.524 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -95.25 -51.74 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.483 ' HA ' HG21 ' A' ' 75' ' ' VAL . 13.4 ttt -60.29 -21.0 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.3 OUTLIER -71.43 -53.59 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.81 -44.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.44 -53.46 57.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 22.7 m -57.59 -41.3 80.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -18.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -76.88 4.82 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -57.22 114.61 8.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.04 146.73 32.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.0 t-160 87.17 -16.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.07 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 22' ' ' PHE . 24.4 t70 -80.45 124.14 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.246 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -57.07 -24.56 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CB ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -83.93 7.62 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.32 133.0 55.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.02 150.37 41.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 118.31 5.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.796 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 176.0 -57.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 18.6 Cg_endo -74.83 149.55 37.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.735 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.4 mt-10 -140.57 135.01 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -134.97 144.02 47.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -142.99 136.07 28.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 10.8 p90 -116.39 139.07 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.817 ' HG2' HG23 ' A' ' 34' ' ' VAL . 5.6 ttmt -110.26 110.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 88.81 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.817 HG23 ' HG2' ' A' ' 32' ' ' LYS . 16.9 t -98.7 165.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -62.58 157.67 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -9.68 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.71 -9.7 3.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.78 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.628 1.205 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 130.19 -145.35 16.56 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.915 HG21 ' HA ' ' A' ' 63' ' ' THR . 3.3 m -120.77 139.65 52.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.412 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.798 HD13 ' C ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.13 120.11 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 42.6 t -103.78 156.6 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.0 ttt180 -144.84 107.98 4.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -120.28 135.2 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.73 120.72 12.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 110.39 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.92 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.4 mt -86.61 165.82 30.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.3 Cg_endo -75.02 167.46 26.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -20.75 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 79.1 m-20 -68.71 -15.87 63.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.819 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.61 128.98 25.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' HD23 ' A' ' 84' ' ' LEU . 18.4 Cg_endo -75.01 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.847 HG13 HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.8 160.11 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.92 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.1 m 149.28 -16.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.767 ' O ' HD13 ' A' ' 55' ' ' ILE . 6.8 mt-10 -71.65 132.41 44.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 54' ' ' GLU . 4.5 mm -149.23 119.69 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 57' ' ' SER . 3.2 pt-20 -143.63 128.46 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER 155.24 140.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.738 ' HB3' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -72.73 159.12 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.557 HD22 HD22 ' A' ' 60' ' ' LEU . 8.9 tt -177.4 -32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.557 HD22 HD22 ' A' ' 59' ' ' LEU . 1.2 mm? -112.23 139.8 22.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -74.96 2.02 7.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.595 1.839 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -121.57 148.25 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.961 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.915 ' HA ' HG21 ' A' ' 40' ' ' THR . 98.3 m -71.94 -52.56 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.03 -39.98 63.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ASP . . . -78.51 -48.45 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.217 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.524 ' CB ' ' HB ' ' A' ' 40' ' ' THR . . . -53.59 -47.89 69.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 9.1 pttt -68.98 -35.49 76.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.573 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -67.96 -34.71 77.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' HD23 ' A' ' 60' ' ' LEU . 8.8 t70 -61.36 -61.46 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -57.37 -37.08 72.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 1.3 m -65.34 -48.12 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.629 1.206 . . . . 0.0 108.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -62.47 -45.86 91.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -33.21 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.63 72.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 10' ' ' MET . 5.0 t -56.7 -47.84 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -63.7 -45.62 89.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.564 ' O ' HD13 ' A' ' 52' ' ' ILE . 14.9 mm-40 -54.75 -28.69 50.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.915 HD11 HD21 ' A' ' 84' ' ' LEU . 13.8 tp -91.11 -32.58 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.524 ' CD2' ' HG2' ' A' ' 9' ' ' MET . 2.5 t60 -73.54 -47.67 39.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.643 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -90.96 -75.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 57.24 60.56 8.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.572 ' HB ' HD22 ' A' ' 81' ' ' LEU . 5.3 p -114.16 8.86 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.786 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.915 HD21 HD11 ' A' ' 78' ' ' LEU . 1.1 pp -117.13 28.27 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.581 ' HA ' HD23 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.63 -18.77 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.621 1.2 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -80.58 -21.83 41.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 97.5 m-85 -95.85 -16.26 21.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -85.6 152.44 23.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.4 mt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.526 ' HB ' ' CE2' ' A' ' 11' ' ' TYR . 1.8 pp -125.33 140.23 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.438 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 37.5 mt-10 -123.24 152.72 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.64 -41.12 94.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.25 -34.02 55.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.438 ' CB ' ' HB2' ' A' ' 97' ' ' GLU . 2.9 tp -66.22 -11.61 51.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.611 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 33.3 t -54.63 152.0 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.409 1.068 . . . . 0.0 109.235 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -39.48 80.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 0.754 . . . . 0.0 110.052 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -57.53 -34.84 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 9' ' ' MET . 1.1 mm -68.36 -32.04 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 4.3 t -37.27 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG2' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mpp? -95.64 -52.48 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.533 ' HA ' HG21 ' A' ' 75' ' ' VAL . 53.9 mtt -60.04 -20.95 60.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ILE . 1.4 t80 -68.41 -57.64 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.49 -43.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -55.31 -53.79 51.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.924 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -62.31 -42.71 99.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.54 1.15 . . . . 0.0 108.262 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -53.55 -17.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.519 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.61 -6.99 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.27 116.56 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -42.01 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.48 -20.26 4.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.595 ' OD1' ' CD2' ' A' ' 23' ' ' PHE . 32.2 t70 -76.5 126.48 31.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.82 -36.26 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -65.03 -9.79 24.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 22.9 m-85 -128.69 130.41 47.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.46 154.45 81.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.04 162.08 37.6 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.498 1.788 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 8.3 mttt 165.63 -52.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.01 160.95 39.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.0 mt-10 -140.24 138.27 34.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.8 p90 -133.08 141.36 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.58 145.19 31.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -113.87 136.98 52.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' HD12 ' A' ' 41' ' ' ILE . 1.9 tppt? -112.52 110.57 52.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.71 5.33 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 41' ' ' ILE . 40.5 t -124.52 169.43 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.535 ' N ' HG12 ' A' ' 34' ' ' VAL . 11.1 m-20 -63.1 164.49 8.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -10.99 20.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.34 7.36 8.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.65 35.65 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.29 -126.3 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.501 HG21 ' HA ' ' A' ' 63' ' ' THR . 0.9 OUTLIER -132.44 150.33 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 110.465 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.551 HG23 ' CA ' ' A' ' 57' ' ' SER . 11.3 mt -105.62 146.9 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 70' ' ' ALA . 2.3 t -122.73 129.0 51.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 108.01 17.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -118.47 137.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 45' ' ' THR . 0.6 OUTLIER -146.81 114.37 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.857 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.5 mt -77.89 164.68 55.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.38 16.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.605 1.845 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.15 -18.72 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.78 -16.62 64.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.15 134.16 24.02 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.655 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -123.5 167.06 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.857 ' CB ' HD12 ' A' ' 46' ' ' LEU . 3.3 t 146.29 -14.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.073 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.677 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -66.98 137.95 56.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HG3' ' A' ' 77' ' ' GLU . 5.6 mm -144.66 126.49 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' SER . 16.4 mt-10 -141.07 109.26 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.551 ' CA ' HG23 ' A' ' 41' ' ' ILE . 1.0 OUTLIER 163.3 137.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' THR . 1.9 p -76.08 169.78 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -177.22 -33.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.376 1.048 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.734 HD22 HD12 ' A' ' 59' ' ' LEU . 1.6 mm? -111.78 140.41 23.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.05 1.41 7.79 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.515 1.797 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -115.63 146.53 41.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.954 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.501 ' HA ' HG21 ' A' ' 40' ' ' THR . 98.8 m -71.37 -52.16 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.4 -36.13 73.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.28 -50.07 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 62' ' ' SER . . . -48.37 -43.04 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 4.6 pttt -69.71 -36.49 75.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 tttt -60.69 -34.63 74.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.81 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.639 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -56.78 -32.51 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.319 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -68.04 -45.64 73.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -33.33 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' SER . . . -70.59 -35.63 73.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 10' ' ' MET . 24.2 t -61.88 -48.41 88.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.56 -41.38 88.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.737 ' HG3' HD11 ' A' ' 55' ' ' ILE . 1.7 mm-40 -56.43 -28.63 59.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.3 tm? -93.76 -32.47 13.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.583 ' CE1' ' HG2' ' A' ' 9' ' ' MET . 1.0 OUTLIER -73.16 -46.46 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.37 -49.56 75.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.03 -72.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.69 56.37 3.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.63 -7.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 25.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.2 -15.39 63.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -76.43 -21.87 55.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -94.76 -16.66 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.56 150.11 24.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -121.95 171.0 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.594 ' N ' HG22 ' A' ' 96' ' ' ILE . 5.8 mm-40 -113.92 154.36 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -59.1 -36.96 76.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.01 -33.01 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.14 -1.46 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.458 ' HG ' HG21 ' A' ' 7' ' ' ILE . 28.5 m -54.93 155.67 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -65.86 -31.76 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 11' ' ' TYR . 1.2 mm -66.29 -41.22 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.436 ' HB2' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -40.95 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -44.23 11.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.721 ' HA ' HG21 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -69.34 -57.74 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.949 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -49.78 -38.65 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -48.13 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 75' ' ' VAL . 4.9 t80 -52.11 -44.42 64.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 t -63.35 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 108.228 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -60.8 -13.84 17.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CG ' ' A' ' 27' ' ' PRO . 11.1 mmt180 -65.8 -2.79 4.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.59 HD11 ' CD ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.41 131.82 76.42 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -35.04 3.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -65.06 -11.19 36.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.7 121.42 35.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.39 -23.26 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.06 -9.41 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 15' ' ' SER . 2.3 t80 -132.34 148.69 52.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -81.2 153.17 71.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.0 159.31 41.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.433 1.754 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 11.3 mttt 165.13 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.501 ' CG ' ' HB3' ' A' ' 16' ' ' ARG . 18.1 Cg_endo -75.1 -173.73 1.69 Allowed 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.04 132.97 25.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -137.59 135.11 36.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -145.53 133.52 21.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -117.11 138.97 51.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' CG ' ' HB ' ' A' ' 41' ' ' ILE . 5.0 ttmt -107.2 116.24 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 73.2 4.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG11 HG12 ' A' ' 41' ' ' ILE . 2.5 p -77.64 166.42 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' VAL . 1.5 m-20 -64.05 170.94 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -11.67 24.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.22 -8.78 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.11 47.63 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 37.01 -113.15 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.882 HG21 ' OG1' ' A' ' 63' ' ' THR . 94.1 m -133.11 145.28 50.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.608 HD13 ' HB3' ' A' ' 58' ' ' SER . 15.4 mm -95.94 133.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 5.3 t -113.25 148.9 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' GLN . 5.5 ttt180 -145.11 106.0 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.321 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.623 HG22 HG13 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -122.74 135.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.91 128.94 17.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.958 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.5 mt -92.04 167.38 15.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.3 Cg_endo -74.99 168.8 24.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.407 1.74 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.37 -16.53 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -17.11 64.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.21 141.63 30.83 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 81' ' ' LEU . 18.6 Cg_endo -74.94 -76.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.36 166.73 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.958 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.2 m 152.47 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 8.3 pt-20 -54.32 136.98 42.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.867 ' HB ' ' HB1' ' A' ' 70' ' ' ALA . 0.5 OUTLIER -145.98 115.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 21.1 mt-10 -143.18 108.51 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.218 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 168.76 125.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.608 ' HB3' HD13 ' A' ' 41' ' ' ILE . 81.0 p -75.31 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.829 ' CD1' HD22 ' A' ' 60' ' ' LEU . 2.9 tm? -178.41 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.829 HD22 ' CD1' ' A' ' 59' ' ' LEU . 1.3 mm? -110.97 145.98 33.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -123.28 145.45 48.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.969 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.882 ' OG1' HG21 ' A' ' 40' ' ' THR . 1.3 m -68.54 -51.25 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -44.37 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.92 -49.19 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -53.52 -47.85 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.59 ' CD ' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -69.55 -35.18 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 ttpt -66.62 -35.5 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' HD23 ' A' ' 60' ' ' LEU . 10.9 t70 -64.48 -60.85 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.867 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.39 -47.46 81.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.465 ' N ' HD13 ' A' ' 55' ' ' ILE . 1.7 t -53.14 -42.35 66.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.512 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.9 mt -58.67 -42.96 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.42 -31.34 62.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 55' ' ' ILE . . . -61.64 -51.52 68.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' A' ' 10' ' ' MET . 5.0 p -56.92 -38.16 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -61.16 -46.09 91.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -56.5 -30.78 63.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -90.19 -33.51 16.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -65.36 -45.68 83.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.604 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.93 -27.72 69.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 51' ' ' PRO . 2.0 tp -93.08 -77.77 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 75.86 55.38 4.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -117.09 -6.07 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -129.17 18.9 5.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 88' ' ' LEU . 12.1 p30 -60.5 -15.16 24.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.75 -21.67 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' HB2' HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -76.74 -16.17 59.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -84.82 152.97 23.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 88' ' ' LEU . 6.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 8' ' ' SER . 2.1 pp -132.73 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 16.7 mt-10 -123.35 153.2 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.211 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -33.61 57.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 97' ' ' GLU . 14.5 tp -70.23 -41.29 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 25.2 m -54.54 160.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.051 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.571 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -60.9 -26.71 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -59.45 -32.8 70.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.531 HG23 ' CG ' ' A' ' 11' ' ' TYR . 1.2 mm -69.12 -41.4 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 68.9 m -43.3 -29.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -43.36 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.973 ' HA ' HG21 ' A' ' 75' ' ' VAL . 54.3 mtm -72.36 -65.29 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -42.27 -38.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -49.45 -48.56 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.404 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 8.1 t80 -51.24 -41.71 60.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.43 -31.12 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 17' ' ' LEU . 3.1 t -59.02 -16.54 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' NE ' ' HG3' ' A' ' 27' ' ' PRO . 28.2 mtt85 -69.64 3.14 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.692 HD21 ' NZ ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -57.47 156.09 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -74.99 149.83 37.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.9 t-80 82.04 -7.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 26.8 t70 -81.33 122.1 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -75.81 -25.02 55.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 8.2 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CE1' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -111.19 143.83 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.074 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.625 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 5.3 mm100 -101.92 155.42 36.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 109.33 2.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -179.63 -59.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -74.97 154.25 42.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.3 mm-40 -141.59 139.35 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -135.16 144.37 47.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.59 144.14 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -114.89 137.24 52.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.551 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -108.85 116.25 56.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 HG13 ' A' ' 41' ' ' ILE . 2.2 t -117.91 168.38 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.41 ' H ' HG12 ' A' ' 34' ' ' VAL . 77.3 m-20 -64.53 162.51 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.56 -14.26 28.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.24 15.98 5.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -164.65 31.8 0.25 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.01 -135.64 0.54 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 58' ' ' SER . 20.4 m -129.38 144.36 51.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG23 ' CA ' ' A' ' 57' ' ' SER . 21.8 mt -105.33 139.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 86.0 m -124.68 124.78 42.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.19 111.9 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -109.84 138.19 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -137.7 126.08 23.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.024 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.2 mt -95.01 167.67 12.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HG3' ' CD ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.06 165.7 30.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -18.79 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -66.82 -17.94 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.025 ' HB2' HD21 ' A' ' 88' ' ' LEU . . . -120.59 133.11 24.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -69.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.3 pp -105.3 161.07 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.024 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.2 m 152.06 -19.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.718 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.1 pt-20 -67.48 135.53 53.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 54' ' ' GLU . 5.3 mm -147.01 121.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -139.2 115.29 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.558 ' CA ' HG23 ' A' ' 41' ' ' ILE . 4.8 t 167.81 142.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.5 ' CB ' HG12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -75.07 162.68 28.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.658 HD12 HD22 ' A' ' 60' ' ' LEU . 2.8 tm? -175.74 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.658 HD22 HD12 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -113.72 141.44 26.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.471 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.0 1.67 7.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -120.21 150.24 40.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 22.3 m -71.27 -52.11 20.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -43.97 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.586 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -74.64 -48.37 26.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 62' ' ' SER . . . -51.09 -47.02 61.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.692 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -69.21 -35.99 76.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.544 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 25.4 tttt -59.29 -36.32 75.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.08 -63.56 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.606 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.73 -35.14 70.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 m -65.81 -47.28 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 4.2 mt -66.56 -39.54 88.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -71.21 -32.87 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -66.38 -50.39 63.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.973 HG21 ' HA ' ' A' ' 10' ' ' MET . 8.5 p -64.06 -39.77 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -47.87 79.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.2 -31.25 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.5 tm? -85.09 -32.99 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.52 -46.53 54.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -83.29 -71.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 48.39 59.64 6.34 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HB ' HD22 ' A' ' 81' ' ' LEU . 9.9 p -99.26 -13.16 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' A' ' 87' ' ' PHE . 1.4 mt -126.77 23.84 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -56.25 -18.81 11.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.55 -22.1 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CG ' HD22 ' A' ' 84' ' ' LEU . 1.2 m-85 -93.3 -17.21 23.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.025 HD21 ' HB2' ' A' ' 50' ' ' ALA . 1.6 mt -107.44 150.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.595 HG22 ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -122.69 171.23 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.595 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.7 pt-20 -98.89 152.16 20.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -63.15 -15.78 57.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.71 -39.39 44.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -74.97 -40.89 60.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 24.1 m -54.74 160.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.57 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 12.1 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.478 ' HA3' HD13 ' A' ' 7' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -76.16 -53.31 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.969 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -61.78 -44.3 97.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.3 mp -59.81 -50.83 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 7' ' ' ILE . 21.4 p -33.1 -35.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 7' ' ' ILE . 3.8 tpt -95.95 -42.28 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.868 ' HA ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.59 -19.03 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 111.037 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.621 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -70.94 -54.49 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -36.57 -40.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.08 -54.52 43.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 0.0 111.056 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' HB3' ' CA ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -64.98 -29.96 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.341 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -52.33 -17.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -69.6 6.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.737 HD23 ' OD1' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -53.06 115.09 6.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.04 78.3 2.94 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER 160.87 -23.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.93 119.65 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -78.76 -19.5 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -62.97 -25.07 68.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 15' ' ' SER . 16.4 t80 -132.7 149.19 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -87.97 153.83 52.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.15 4.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.517 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.41 -51.53 1.92 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.403 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.01 162.8 36.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -140.04 162.3 35.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 20.8 m-30 -134.3 143.17 47.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -140.96 132.83 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CB ' ' CG2' ' A' ' 63' ' ' THR . 32.0 p90 -116.45 134.29 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.26 118.83 43.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 111.78 3.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 41' ' ' ILE . 19.1 t -121.93 169.48 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.8 t0 -63.41 159.82 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.93 -12.02 22.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -7.15 25.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -160.7 48.84 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 34.35 -125.36 0.51 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 58' ' ' SER . 7.2 m -132.16 149.19 52.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 0.807 . . . . 0.0 110.395 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.62 ' CD1' HG21 ' A' ' 34' ' ' VAL . 35.5 mt -97.52 140.2 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 67' ' ' LYS . 57.1 m -123.12 129.54 51.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.3 ttm180 -112.23 109.46 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -100.32 136.91 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -143.2 121.8 12.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.022 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.3 mt -93.36 167.43 14.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HG3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 171.2 18.79 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -15.38 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.98 -18.17 64.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.55 138.93 27.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' HG2' HD12 ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.09 -69.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.637 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.67 170.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.022 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.8 t 146.97 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.941 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.737 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.2 pt-20 -64.92 133.46 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.4 mm -148.08 128.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 12.7 mt-10 -142.0 114.3 8.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.7 p 166.12 135.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.42 169.73 17.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.647 HD12 HD22 ' A' ' 60' ' ' LEU . 2.9 tm? -176.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD22 HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -112.53 149.79 41.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.445 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.4 Cg_endo -74.91 1.68 7.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -128.45 146.13 50.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.461 ' CG2' ' CB ' ' A' ' 31' ' ' PHE . 1.1 m -71.36 -41.57 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.6 mt-10 -56.85 -45.21 82.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.01 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.93 -39.49 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.541 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -68.99 -35.51 76.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.541 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.1 ttmt -58.72 -34.83 71.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.91 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.26 -30.21 64.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 13.8 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.413 HD13 ' SD ' ' A' ' 10' ' ' MET . 0.4 OUTLIER -68.39 -44.26 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -55.59 -34.23 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.35 76.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.868 HG21 ' HA ' ' A' ' 10' ' ' MET . 40.7 t -56.45 -47.16 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -47.64 85.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -31.29 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' GLY . 27.6 tp -85.15 -32.95 22.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -72.92 -47.0 49.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.542 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -59.96 -40.44 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.592 HD13 ' H ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -91.98 -78.99 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 38.03 54.4 1.98 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.592 ' H ' HD13 ' A' ' 81' ' ' LEU . 2.1 t -102.62 0.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.41 30.76 6.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.406 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 16.3 p-10 -53.92 -19.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.08 -21.48 66.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -94.42 -16.43 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -99.48 154.46 18.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 95' ' ' GLU . 3.3 pt-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.511 HD13 ' HD2' ' A' ' 11' ' ' TYR . 1.4 pp -124.8 138.06 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -123.14 153.59 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.558 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -58.74 -34.28 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.2 -32.42 49.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HA ' HD12 ' A' ' 100' ' ' LEU . 11.8 tp -67.11 -8.01 27.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.621 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 91.6 p -53.28 136.6 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.945 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.737 ' OD1' HD23 ' A' ' 17' ' ' LEU . 29.3 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 p -60.88 -43.52 98.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 110.029 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -31.88 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' MET . 1.6 mt -61.02 -44.05 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 m -39.69 -31.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.421 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -82.5 -46.6 13.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.543 ' HA ' HG21 ' A' ' 75' ' ' VAL . 1.3 mpt? -64.06 -71.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -40.61 -28.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.687 ' HZ3' HD12 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -57.8 -48.58 79.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 74' ' ' ALA . 4.8 t80 -50.61 -39.23 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -37.0 82.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -77.51 -16.17 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.1 mtt-85 -71.84 4.84 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -56.57 160.9 4.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.87 10.46 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.688 ' HB2' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.01 -2.6 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 26.1 t70 -97.32 119.56 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.28 -28.58 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.69 -8.21 13.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -129.19 140.13 51.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 6.3 pm0 -62.19 155.25 66.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 48.6 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.598 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -94.65 -64.18 0.13 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 150.28 38.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.67 ' O ' HD13 ' A' ' 44' ' ' ILE . 4.8 mt-10 -141.22 139.38 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -135.87 140.08 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.98 143.18 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -115.48 134.94 54.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -104.47 115.85 62.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.85 3.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 35' ' ' ASP . 21.4 t -117.67 167.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -64.45 163.59 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -13.96 25.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -84.14 14.21 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.24 29.9 0.17 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.8 -137.93 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.784 HG21 ' HA ' ' A' ' 63' ' ' THR . 5.8 m -125.95 141.28 52.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.463 HG23 ' CA ' ' A' ' 57' ' ' SER . 12.1 mt -100.88 145.03 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.563 ' SG ' ' HB3' ' A' ' 70' ' ' ALA . 5.5 t -124.07 129.83 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.58 108.05 16.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.583 1.177 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -116.72 136.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -143.78 117.98 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 11.8 mt -84.66 164.1 43.95 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.83 19.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -18.21 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -71.46 -14.57 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.852 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.29 133.38 23.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.453 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.98 -73.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.424 1.749 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -106.04 165.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.721 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.4 m 147.96 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.696 ' O ' HD13 ' A' ' 55' ' ' ILE . 15.6 mt-10 -66.72 136.07 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.9 mm -146.8 112.5 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 57' ' ' SER . 20.3 mt-10 -127.43 108.15 10.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 162.22 142.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.35 172.23 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' OD2' ' A' ' 69' ' ' ASP . 8.9 tt -175.72 -34.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 69' ' ' ASP . 1.3 mm? -111.61 143.53 28.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -74.92 1.65 7.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.808 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.13 148.93 43.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.784 ' HA ' HG21 ' A' ' 40' ' ' THR . 79.8 p -71.39 -54.46 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.9 mt-10 -53.5 -35.86 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -80.43 -50.81 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.82 -39.59 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 28.1 pttt -68.76 -36.32 78.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -66.29 -35.61 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.657 ' OD2' HD13 ' A' ' 59' ' ' LEU . 22.0 t70 -59.81 -66.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.625 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -56.55 -38.13 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.899 ' O ' HG23 ' A' ' 75' ' ' VAL . 20.0 m -63.19 -46.78 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 10' ' ' MET . 6.9 mt -67.8 -46.51 71.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -59.91 -35.72 75.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . . . -68.8 -43.74 75.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 71' ' ' CYS . 96.6 t -59.88 -47.43 91.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.596 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.543 ' OE2' ' CA ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -62.74 -28.82 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.2 tm? -88.68 -42.29 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 5.0 t60 -59.69 -46.05 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.654 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -57.17 -28.84 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD22 ' HB ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -97.84 -77.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 58.62 58.46 14.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' HD22 ' A' ' 81' ' ' LEU . 6.7 p -100.4 7.37 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -124.97 24.14 7.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.627 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -55.18 -18.86 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -80.54 -21.94 41.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.26 -16.12 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 85' ' ' ASN . 14.5 mt -85.14 152.95 23.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.687 HD12 ' HZ3' ' A' ' 12' ' ' LYS . 1.1 mm -122.1 170.91 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.583 ' N ' HG22 ' A' ' 96' ' ' ILE . 8.6 mm-40 -123.6 153.12 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.42 -40.74 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 -43.29 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.544 HD23 HG23 ' A' ' 96' ' ' ILE . 11.6 tp -54.78 -52.46 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 83.7 p -55.78 146.38 21.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -63.79 -27.16 68.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 110.063 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -57.9 -31.54 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.538 HD13 ' SD ' ' A' ' 10' ' ' MET . 0.4 OUTLIER -60.0 -39.6 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 1.8 t -37.94 -30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 96.8 mmm -82.86 -61.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.763 ' HA ' HG11 ' A' ' 75' ' ' VAL . 5.5 ptp -58.9 -32.56 69.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.686 ' CD2' HD13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -65.45 -51.95 56.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 10.3 mttp -40.06 -36.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.832 ' CD2' HG22 ' A' ' 75' ' ' VAL . 1.2 t80 -69.0 -39.05 79.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' TYR . 1.2 t -76.8 -50.35 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.647 ' CB ' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -47.64 -20.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.583 HH21 ' HB3' ' A' ' 27' ' ' PRO . 10.1 mtp-105 -69.7 1.49 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.957 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.97 151.08 35.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.573 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.9 -38.77 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -14.62 28.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.544 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -80.9 120.53 24.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.1 -29.19 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -3.96 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -132.28 144.51 50.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.25 154.16 57.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.21 3.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 2.8 mttt -78.46 -51.22 1.55 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.583 ' HB3' HH21 ' A' ' 16' ' ' ARG . 18.3 Cg_endo -74.89 -169.21 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -143.1 139.55 30.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -136.57 134.86 37.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.75 137.92 26.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -116.9 131.25 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.575 ' CD ' HD12 ' A' ' 41' ' ' ILE . 3.0 ttmm -115.67 110.48 44.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.43 6.05 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.555 HG21 HG13 ' A' ' 41' ' ' ILE . 16.5 t -114.3 169.65 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -63.43 157.02 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.08 -11.55 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -8.42 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.19 -74.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.09 -129.41 1.99 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -132.43 144.09 50.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 0.0 110.469 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.575 HD12 ' CD ' ' A' ' 32' ' ' LYS . 38.0 mt -100.8 141.42 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.754 ' SG ' HD13 ' A' ' 44' ' ' ILE . 3.2 t -123.06 128.66 50.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.8 ttp180 -109.72 108.49 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.754 HD13 ' SG ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -119.37 135.62 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.44 113.49 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.93 HD12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -74.01 167.23 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.5 Cg_endo -74.97 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.787 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.96 -13.74 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.33 -13.75 60.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.776 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.45 138.82 26.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.04 -77.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.44 1.758 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.704 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.96 166.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.93 ' CB ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER 152.94 -20.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.049 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 11.8 mt-10 -48.29 135.93 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.812 HG21 ' HB2' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -148.72 115.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.364 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 16.5 mt-10 -142.62 102.51 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 166.49 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 40' ' ' THR . 85.1 p -76.64 179.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER 176.57 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.041 HD13 HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -110.35 150.46 41.62 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -120.3 151.22 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 55.1 m -72.22 -52.18 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 8.5 mt-10 -54.36 -37.55 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.847 ' HB1' HD23 ' A' ' 60' ' ' LEU . . . -79.3 -50.3 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 40' ' ' THR . . . -54.96 -48.19 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.957 ' NZ ' HD11 ' A' ' 17' ' ' LEU . 1.6 pttt -68.93 -35.79 77.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.585 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 32.3 tttm -67.01 -41.46 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.709 ' CG ' HD22 ' A' ' 59' ' ' LEU . 12.4 t70 -58.25 -62.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -54.71 -47.92 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.936 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.1 t -56.28 -46.98 79.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 1.163 . . . . 0.0 108.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -59.17 -48.14 82.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -65.58 -32.76 74.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.812 ' HB2' HG21 ' A' ' 55' ' ' ILE . . . -66.42 -41.45 89.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 71' ' ' CYS . 37.1 t -55.72 -40.31 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -46.93 88.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.34 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.0 tm? -86.78 -30.96 21.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.4 t-80 -72.41 -47.24 50.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.517 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -61.7 -28.69 69.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -97.21 -81.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 44.02 62.2 2.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -114.43 -7.73 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mt -117.4 20.11 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -64.63 -15.27 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.49 -21.41 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.91 -16.37 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.29 152.14 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.801 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.686 HD13 ' CD2' ' A' ' 11' ' ' TYR . 2.5 pp -127.8 167.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.05 153.04 40.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -60.66 -52.14 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -32.08 65.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.88 0.09 19.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.674 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 58.9 p -53.65 144.45 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' HD13 ' A' ' 17' ' ' LEU . 12.3 t0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.34 -30.81 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -62.31 -31.87 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -67.65 -32.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' ILE . 28.7 m -36.12 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -99.17 -56.86 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.513 ' HA ' HG11 ' A' ' 75' ' ' VAL . 2.0 tmt? -53.97 -19.32 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' LYS . 2.6 t80 -71.13 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.84 -43.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -51.89 -53.5 40.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 35.3 m -64.45 -45.62 86.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -50.53 -20.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -78.0 4.17 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 20' ' ' ASP . 15.2 tp -58.36 114.53 8.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.13 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -15.4 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.699 ' HB2' HD23 ' A' ' 17' ' ' LEU . 38.3 t70 -82.91 122.57 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -76.04 -28.87 57.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.85 73.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 72.8 t80 -95.5 139.49 31.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CE2' ' A' ' 23' ' ' PHE . 2.8 mp0 -75.22 151.96 85.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -75.0 154.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 6.3 mttp 169.18 -54.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.93 164.6 33.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.66 144.64 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 6.6 p90 -133.18 132.22 41.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.45 136.49 33.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.677 ' CB ' HG23 ' A' ' 63' ' ' THR . 13.1 p90 -114.48 133.74 55.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.751 ' HG2' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.14 118.19 56.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.735 HG21 HG13 ' A' ' 41' ' ' ILE . 10.7 t -125.62 171.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.537 ' H ' HG12 ' A' ' 34' ' ' VAL . 2.1 m-20 -61.7 140.73 58.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.58 -11.37 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -63.83 -8.56 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.14 -45.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 139.38 -135.54 7.33 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.566 HG21 ' OG1' ' A' ' 63' ' ' THR . 2.9 m -133.11 153.59 51.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.751 HD12 ' HG2' ' A' ' 32' ' ' LYS . 56.0 mt -98.01 147.24 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -117.06 128.18 54.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 108.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -121.3 108.17 13.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.634 ' HB ' HD11 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -120.59 139.63 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 45' ' ' THR . 5.4 t -143.27 113.65 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.702 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.4 mt -81.52 164.93 47.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -74.95 175.7 10.88 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.11 -24.54 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.665 ' CG ' HD21 ' A' ' 88' ' ' LEU . 22.0 p30 -69.47 -7.98 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -117.67 147.3 40.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CD2' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -75.09 -91.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.816 HG13 HD12 ' A' ' 81' ' ' LEU . 1.2 pp -106.3 175.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.702 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.9 m 151.06 -19.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -53.78 139.52 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.85 ' O ' HD12 ' A' ' 55' ' ' ILE . 2.7 pp -147.06 124.97 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 4.2 mt-10 -141.88 84.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.21 132.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.71 166.33 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.029 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.651 HD12 HD22 ' A' ' 60' ' ' LEU . 2.7 tm? -177.3 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 HD12 ' A' ' 59' ' ' LEU . 1.7 mm? -112.61 144.77 31.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.0 145.51 44.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.677 HG23 ' CB ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -72.03 -50.84 25.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.416 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -35.44 75.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.36 -51.92 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.424 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -51.28 -43.74 61.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -69.2 -43.01 75.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 ttpm? -60.2 -42.73 95.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 7.2 t70 -59.58 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -56.69 -41.4 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 6.0 m -55.22 -41.91 72.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -59.54 -43.81 93.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 109.224 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.86 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.82 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 10' ' ' MET . 0.5 OUTLIER -57.29 -44.47 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -47.86 72.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.541 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.5 mt-10 -57.23 -31.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' GLY . 2.4 tm? -83.23 -34.84 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.73 -47.4 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -37.36 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.816 HD12 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -85.52 -74.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.22 55.73 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.545 ' HB ' HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -90.28 -11.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HG ' HG13 ' A' ' 83' ' ' VAL . 49.3 mt -128.27 6.76 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -67.19 -14.89 63.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.79 -21.66 66.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -16.52 23.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 49' ' ' ASN . 35.8 mt -107.54 152.1 24.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.401 HD11 ' CD2' ' A' ' 11' ' ' TYR . 2.1 pp -127.65 172.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.57 153.99 19.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.454 ' HA ' HG21 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -32.15 56.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.78 -2.91 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.4 p -53.88 161.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 11.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.373 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.32 98.85 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.01 -175.95 20.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.83 -76.59 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -60.52 -32.16 71.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' SD ' ' A' ' 10' ' ' MET . 15.3 m -65.41 -32.42 74.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.651 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 1.3 mt -68.01 -46.94 80.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -42.47 -31.61 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 mmt -82.64 -41.43 19.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.507 ' HA ' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -72.08 -39.06 69.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.651 ' CD1' ' CG2' ' A' ' 7' ' ' ILE . 2.5 m-30 -64.89 -37.55 88.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -50.92 -39.02 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.81 ' CG ' HG22 ' A' ' 75' ' ' VAL . 1.2 t80 -64.08 -40.21 95.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.585 ' SG ' HD13 ' A' ' 17' ' ' LEU . 10.4 t -73.27 -31.13 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.8 t -54.64 -17.88 3.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.607 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 4.3 mtt180 -68.71 -3.92 13.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD13 ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -58.74 162.69 6.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.594 ' HG3' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.93 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.42 -21.16 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.548 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 23' ' ' PHE . 17.7 t70 -76.68 127.65 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.71 -20.03 51.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.45 8.09 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.94 128.46 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 2.2 mm100 -92.51 153.89 42.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.496 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 18.3 Cg_endo -75.01 122.45 7.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.78 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 25' ' ' PRO . 6.7 mtmt 166.89 -52.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HA ' HD23 ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.0 168.17 25.42 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.76 149.13 43.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.37 133.09 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.91 132.69 21.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.709 ' CG ' HG23 ' A' ' 63' ' ' THR . 14.8 m-85 -117.28 137.43 52.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' O ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -119.67 109.43 38.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 126.07 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.435 1.755 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 35' ' ' ASP . 18.8 t -134.37 167.71 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.5 m-20 -63.98 166.36 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -13.03 20.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -69.01 -5.87 24.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -165.86 34.88 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 36.59 -124.18 0.89 Allowed Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.815 ' C ' HD13 ' A' ' 41' ' ' ILE . 88.1 m -127.37 151.88 48.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 0.734 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.859 HD12 ' OG ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -102.4 119.61 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.832 ' SG ' ' HB2' ' A' ' 70' ' ' ALA . 3.7 p -95.19 127.49 41.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -121.19 109.43 14.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -119.61 136.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 t -141.26 128.31 20.75 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.913 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.8 mt -94.89 165.5 16.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.43 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.57 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 5.4 m-80 -67.38 -16.12 64.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.36 141.44 30.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.619 ' HG3' HD23 ' A' ' 84' ' ' LEU . 18.2 Cg_endo -75.01 -80.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.757 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -104.72 169.87 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.913 ' CB ' HD12 ' A' ' 46' ' ' LEU . 3.2 t 149.52 -17.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.621 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -68.23 136.33 53.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.71 ' HB ' ' HB1' ' A' ' 70' ' ' ALA . 5.9 mm -144.14 113.05 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 20.5 mt-10 -126.38 110.04 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.225 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.5 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -77.6 167.05 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.698 ' CD2' HD22 ' A' ' 60' ' ' LEU . 8.2 tt -178.49 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -118.27 140.42 28.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.479 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.08 1.62 7.57 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -118.69 147.57 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.709 HG23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 m -71.34 -45.82 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 8.5 mt-10 -57.77 -42.13 83.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.584 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -78.21 -48.25 16.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -49.75 -40.91 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -68.87 -36.22 77.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 ttpm? -59.66 -34.6 73.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.389 1.056 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.448 ' OD1' HD13 ' A' ' 59' ' ' LEU . 15.9 t70 -64.08 -63.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.832 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -56.28 -35.74 67.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.7 m -65.88 -47.07 76.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 72' ' ' LEU . 7.3 mt -65.49 -46.85 78.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.64 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB1' ' CE1' ' A' ' 13' ' ' TYR . . . -64.46 -43.53 93.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 71' ' ' CYS . 4.1 t -58.17 -47.28 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.63 85.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.3 -31.19 65.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.5 tm? -88.08 -29.72 20.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' VAL . 2.0 t-80 -72.81 -46.57 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.99 -36.53 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.449 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -94.85 -77.26 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 56.92 60.78 8.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 84' ' ' LEU . 7.4 p -106.5 -12.43 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.619 HD23 ' HG3' ' A' ' 51' ' ' PRO . 3.6 mm? -115.45 29.89 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -59.09 -15.92 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -78.82 -22.16 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 1.3 t80 -88.11 -22.77 23.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 89' ' ' LEU . 2.2 pp -106.73 153.42 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -65.23 132.51 95.31 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -161.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.581 1.832 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -62.35 -19.39 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -44.09 74.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.073 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -82.8 -14.66 54.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ILE . 25.6 t0 -78.25 -7.85 57.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -68.94 59.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.544 ' HB ' HD22 ' A' ' 100' ' ' LEU . 2.1 pt -145.1 172.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.36 152.46 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -60.31 -38.33 83.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -77.12 -35.4 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.544 HD22 ' HB ' ' A' ' 96' ' ' ILE . 2.0 tt -58.12 -48.97 78.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.464 ' CB ' HD11 ' A' ' 96' ' ' ILE . 4.9 t -55.15 170.12 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.068 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.562 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 4.7 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 1' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -149.93 169.85 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.85 -62.98 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.31 83.64 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -70.79 -35.19 72.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -31.87 71.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 9' ' ' MET . 1.5 mm -66.0 -35.64 75.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -40.12 -30.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.962 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.42 ' N ' ' C ' ' A' ' 7' ' ' ILE . 5.1 mmt -96.79 -37.3 10.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.735 ' HA ' HG11 ' A' ' 75' ' ' VAL . 4.8 mtt -67.65 -30.52 70.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.629 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.8 OUTLIER -67.98 -53.25 27.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.534 ' HZ1' HD12 ' A' ' 89' ' ' LEU . 1.1 mmmp? -37.44 -37.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.641 ' OH ' HG21 ' A' ' 44' ' ' ILE . 10.4 t80 -75.99 -44.78 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.4 m -65.75 -40.74 92.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -48.3 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' CB ' ' A' ' 27' ' ' PRO . 30.9 mtt85 -69.61 -2.21 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -64.72 161.0 49.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.01 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 58.49 14.37 2.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 32.9 t70 -101.68 137.26 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -35.85 50.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -81.85 7.96 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.475 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.44 127.63 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.466 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -110.79 153.43 43.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.85 119.99 5.92 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER 165.55 -53.01 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.03 162.31 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 45.0 mt-10 -142.06 137.12 30.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -135.56 134.65 39.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.37 27.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD2' ' CG2' ' A' ' 63' ' ' THR . 5.5 m-85 -115.46 138.34 51.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.644 ' O ' HG23 ' A' ' 40' ' ' THR . 2.6 ttmm -109.17 113.19 59.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 101.26 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.764 . . . . 0.0 110.991 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 35' ' ' ASP . 40.5 t -100.72 169.27 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 34' ' ' VAL . 2.9 t0 -63.55 164.13 10.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.385 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -11.27 26.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.88 16.06 4.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -173.79 33.06 0.11 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 35.46 -132.64 0.64 Allowed Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.963 HG21 ' OG1' ' A' ' 63' ' ' THR . 4.2 m -133.06 147.68 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.847 HG22 ' CB ' ' A' ' 58' ' ' SER . 1.4 pt -110.84 134.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 9.0 t -103.93 129.35 51.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HA ' ' CG ' ' A' ' 56' ' ' GLU . 31.3 ttp180 -107.39 108.46 19.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.641 HG21 ' OH ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -117.61 137.13 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.3 t -145.4 120.19 9.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.096 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.7 mt -85.67 168.2 20.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.1 Cg_endo -75.0 168.08 25.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.5 -16.36 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 2.1 m-80 -67.44 -18.22 65.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.38 140.4 30.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HG3' HD23 ' A' ' 84' ' ' LEU . 18.3 Cg_endo -75.03 -75.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.667 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.2 165.49 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.096 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.8 m 150.1 -18.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.753 ' O ' HD13 ' A' ' 55' ' ' ILE . 4.7 pt-20 -70.73 136.27 48.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.8 mm -147.08 122.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 57' ' ' SER . 0.8 OUTLIER -138.46 118.71 13.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 164.01 145.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.847 ' CB ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -76.32 164.57 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.589 1.181 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.668 HD22 HD22 ' A' ' 60' ' ' LEU . 7.2 tt -176.48 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD22 HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.3 143.41 29.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.223 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.444 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -75.01 2.63 6.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -126.95 145.39 50.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.963 ' OG1' HG21 ' A' ' 40' ' ' THR . 0.9 OUTLIER -71.89 -40.19 69.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 23.5 mt-10 -57.97 -44.17 86.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.18 -48.45 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.13 -41.17 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -65.95 -35.84 81.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.552 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 6.5 mttt -67.57 -33.9 75.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' HD13 ' A' ' 59' ' ' LEU . 9.9 t70 -62.23 -64.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.4 -36.95 71.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.3 m -65.03 -47.16 78.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 108.346 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.51 -47.45 69.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -33.02 73.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB1' ' HH ' ' A' ' 13' ' ' TYR . . . -66.52 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 71' ' ' CYS . 22.0 t -55.65 -40.38 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.376 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.623 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.4 -30.98 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 88' ' ' LEU . 6.5 tp -86.75 -31.43 20.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.8 t-80 -72.43 -46.63 54.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -61.15 -34.53 75.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.667 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -92.59 -78.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 54.87 61.28 7.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.44 -7.45 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -114.55 30.23 7.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -53.66 -20.32 5.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -63.84 -21.76 66.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 14.9 t80 -92.76 -15.39 26.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 78' ' ' LEU . 87.1 mt -84.21 153.91 23.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.852 HD22 ' HG3' ' A' ' 93' ' ' LYS . 1.9 mt -65.09 160.72 54.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -75.6 -20.25 58.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.374 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -56.59 -37.1 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.852 ' HG3' HD22 ' A' ' 89' ' ' LEU . 14.5 mmtm -82.09 -5.77 58.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 12.5 t0 -69.52 -15.14 63.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.6 59.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 pp -123.99 172.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.225 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -121.59 151.96 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.226 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -36.71 85.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.65 -32.89 60.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.71 -3.39 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.629 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 83.6 p -54.3 145.29 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.7 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t 74.15 146.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.86 109.01 2.05 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.432 1.083 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.85 93.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -71.25 -37.16 71.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -61.61 -35.02 76.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 11' ' ' TYR . 1.2 mm -68.49 -32.77 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 9' ' ' MET . 14.6 t -37.3 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.524 ' HG2' ' CD2' ' A' ' 79' ' ' HIS . 0.1 OUTLIER -95.25 -51.74 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.483 ' HA ' HG21 ' A' ' 75' ' ' VAL . 13.4 ttt -60.29 -21.0 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.3 OUTLIER -71.43 -53.59 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.81 -44.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.44 -53.46 57.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 22.7 m -57.59 -41.3 80.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -18.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -76.88 4.82 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -57.22 114.61 8.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.04 146.73 32.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.0 t-160 87.17 -16.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.07 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 22' ' ' PHE . 24.4 t70 -80.45 124.14 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.246 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -57.07 -24.56 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CB ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -83.93 7.62 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -120.32 133.0 55.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.165 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.02 150.37 41.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 118.31 5.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.796 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 176.0 -57.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 18.6 Cg_endo -74.83 149.55 37.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.735 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.4 mt-10 -140.57 135.01 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -134.97 144.02 47.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -142.99 136.07 28.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 10.8 p90 -116.39 139.07 50.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.817 ' HG2' HG23 ' A' ' 34' ' ' VAL . 5.6 ttmt -110.26 110.55 58.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 88.81 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.817 HG23 ' HG2' ' A' ' 32' ' ' LYS . 16.9 t -98.7 165.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -62.58 157.67 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -9.68 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.71 -9.7 3.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.78 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.628 1.205 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 130.19 -145.35 16.56 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.915 HG21 ' HA ' ' A' ' 63' ' ' THR . 3.3 m -120.77 139.65 52.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.412 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.798 HD13 ' C ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.13 120.11 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 42.6 t -103.78 156.6 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.0 ttt180 -144.84 107.98 4.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -120.28 135.2 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.73 120.72 12.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 110.39 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.92 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.4 mt -86.61 165.82 30.77 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.3 Cg_endo -75.02 167.46 26.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -20.75 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 87' ' ' PHE . 79.1 m-20 -68.71 -15.87 63.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.819 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.61 128.98 25.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' HD23 ' A' ' 84' ' ' LEU . 18.4 Cg_endo -75.01 -68.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.847 HG13 HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.8 160.11 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.92 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.1 m 149.28 -16.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.767 ' O ' HD13 ' A' ' 55' ' ' ILE . 6.8 mt-10 -71.65 132.41 44.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.767 HD13 ' O ' ' A' ' 54' ' ' GLU . 4.5 mm -149.23 119.69 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 57' ' ' SER . 3.2 pt-20 -143.63 128.46 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER 155.24 140.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 110.006 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.738 ' HB3' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -72.73 159.12 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.557 HD22 HD22 ' A' ' 60' ' ' LEU . 8.9 tt -177.4 -32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD22 HD22 ' A' ' 59' ' ' LEU . 1.2 mm? -112.23 139.8 22.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -74.96 2.02 7.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.595 1.839 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -121.57 148.25 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.961 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.915 ' HA ' HG21 ' A' ' 40' ' ' THR . 98.3 m -71.94 -52.56 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.03 -39.98 63.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ASP . . . -78.51 -48.45 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.217 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.524 ' CB ' ' HB ' ' A' ' 40' ' ' THR . . . -53.59 -47.89 69.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 9.1 pttt -68.98 -35.49 76.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.573 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -67.96 -34.71 77.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.399 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' HD23 ' A' ' 60' ' ' LEU . 8.8 t70 -61.36 -61.46 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -57.37 -37.08 72.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 1.3 m -65.34 -48.12 74.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.629 1.206 . . . . 0.0 108.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' O ' ' HB ' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -62.47 -45.86 91.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -33.21 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.63 72.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 10' ' ' MET . 5.0 t -56.7 -47.84 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -63.7 -45.62 89.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.564 ' O ' HD13 ' A' ' 52' ' ' ILE . 14.9 mm-40 -54.75 -28.69 50.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.915 HD11 HD21 ' A' ' 84' ' ' LEU . 13.8 tp -91.11 -32.58 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.524 ' CD2' ' HG2' ' A' ' 9' ' ' MET . 2.5 t60 -73.54 -47.67 39.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.643 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -90.96 -75.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 57.24 60.56 8.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.572 ' HB ' HD22 ' A' ' 81' ' ' LEU . 5.3 p -114.16 8.86 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.786 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.915 HD21 HD11 ' A' ' 78' ' ' LEU . 1.1 pp -117.13 28.27 8.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.581 ' HA ' HD23 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.63 -18.77 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.621 1.2 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -80.58 -21.83 41.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 97.5 m-85 -95.85 -16.26 21.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -85.6 152.44 23.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' A' ' 92' ' ' SER . 1.4 mt -65.79 123.92 86.1 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -91.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -74.86 -22.97 58.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.734 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -60.18 -44.47 95.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.579 ' HD3' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -77.13 -1.07 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 8.0 t70 -69.51 -11.24 60.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -120.57 65.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.526 ' HB ' ' CE2' ' A' ' 11' ' ' TYR . 1.8 pp -125.33 140.23 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.438 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 37.5 mt-10 -123.24 152.72 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.64 -41.12 94.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.25 -34.02 55.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.438 ' CB ' ' HB2' ' A' ' 97' ' ' GLU . 2.9 tp -66.22 -11.61 51.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.611 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 33.3 t -54.63 152.0 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.409 1.068 . . . . 0.0 109.235 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.92 155.31 41.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' SER . . . 161.76 -152.96 23.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.34 93.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER -68.72 -39.48 80.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 0.754 . . . . 0.0 110.052 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -57.53 -34.84 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 9' ' ' MET . 1.1 mm -68.36 -32.04 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 4.3 t -37.27 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG2' ' CE1' ' A' ' 79' ' ' HIS . 2.5 mpp? -95.64 -52.48 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.533 ' HA ' HG21 ' A' ' 75' ' ' VAL . 53.9 mtt -60.04 -20.95 60.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' ILE . 1.4 t80 -68.41 -57.64 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -37.49 -43.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -55.31 -53.79 51.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.924 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -62.31 -42.71 99.59 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.54 1.15 . . . . 0.0 108.262 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' HA ' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -53.55 -17.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.519 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.61 -6.99 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.27 116.56 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -42.01 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -53.48 -20.26 4.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.595 ' OD1' ' CD2' ' A' ' 23' ' ' PHE . 32.2 t70 -76.5 126.48 31.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.82 -36.26 59.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -65.03 -9.79 24.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 22.9 m-85 -128.69 130.41 47.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.46 154.45 81.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.04 162.08 37.6 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.498 1.788 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 8.3 mttt 165.63 -52.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.01 160.95 39.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.0 mt-10 -140.24 138.27 34.92 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.553 1.158 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.8 p90 -133.08 141.36 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.58 145.19 31.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -113.87 136.98 52.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' HD12 ' A' ' 41' ' ' ILE . 1.9 tppt? -112.52 110.57 52.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.71 5.33 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.512 1.796 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 41' ' ' ILE . 40.5 t -124.52 169.43 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.535 ' N ' HG12 ' A' ' 34' ' ' VAL . 11.1 m-20 -63.1 164.49 8.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -10.99 20.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.34 7.36 8.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.65 35.65 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.29 -126.3 0.93 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.501 HG21 ' HA ' ' A' ' 63' ' ' THR . 0.9 OUTLIER -132.44 150.33 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 0.804 . . . . 0.0 110.465 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.551 HG23 ' CA ' ' A' ' 57' ' ' SER . 11.3 mt -105.62 146.9 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 70' ' ' ALA . 2.3 t -122.73 129.0 51.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 108.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 108.01 17.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -118.47 137.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 45' ' ' THR . 0.6 OUTLIER -146.81 114.37 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.857 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.5 mt -77.89 164.68 55.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.38 16.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.605 1.845 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.15 -18.72 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.78 -16.62 64.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.15 134.16 24.02 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.655 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -123.5 167.06 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.857 ' CB ' HD12 ' A' ' 46' ' ' LEU . 3.3 t 146.29 -14.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.073 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.677 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -66.98 137.95 56.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HG3' ' A' ' 77' ' ' GLU . 5.6 mm -144.66 126.49 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' SER . 16.4 mt-10 -141.07 109.26 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.551 ' CA ' HG23 ' A' ' 41' ' ' ILE . 1.0 OUTLIER 163.3 137.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' THR . 1.9 p -76.08 169.78 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -177.22 -33.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.376 1.048 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.734 HD22 HD12 ' A' ' 59' ' ' LEU . 1.6 mm? -111.78 140.41 23.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.05 1.41 7.79 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.515 1.797 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -115.63 146.53 41.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.954 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.501 ' HA ' HG21 ' A' ' 40' ' ' THR . 98.8 m -71.37 -52.16 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.4 -36.13 73.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.28 -50.07 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 62' ' ' SER . . . -48.37 -43.04 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 4.6 pttt -69.71 -36.49 75.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 tttt -60.69 -34.63 74.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.81 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.639 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -56.78 -32.51 65.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 17.9 m -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 108.319 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -68.04 -45.64 73.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -33.33 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' SER . . . -70.59 -35.63 73.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 10' ' ' MET . 24.2 t -61.88 -48.41 88.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -66.56 -41.38 88.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.737 ' HG3' HD11 ' A' ' 55' ' ' ILE . 1.7 mm-40 -56.43 -28.63 59.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.667 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.3 tm? -93.76 -32.47 13.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.583 ' CE1' ' HG2' ' A' ' 9' ' ' MET . 1.0 OUTLIER -73.16 -46.46 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.37 -49.56 75.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.03 -72.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.69 56.37 3.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.63 -7.74 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 25.21 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -67.2 -15.39 63.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -76.43 -21.87 55.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -94.76 -16.66 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.56 150.11 24.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.15 124.01 90.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -161.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.641 1.864 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.33 -22.22 13.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 p -73.84 -49.13 26.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.984 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -18.85 63.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.78 -22.3 21.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 40.51 73.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -121.95 171.0 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.594 ' N ' HG22 ' A' ' 96' ' ' ILE . 5.8 mm-40 -113.92 154.36 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -59.1 -36.96 76.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.01 -33.01 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.14 -1.46 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.458 ' HG ' HG21 ' A' ' 7' ' ' ILE . 28.5 m -54.93 155.67 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.473 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 1' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -46.89 146.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.23 108.95 3.75 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.85 58.73 0.5 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -65.86 -31.76 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 11' ' ' TYR . 1.2 mm -66.29 -41.22 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.436 ' HB2' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -40.95 -31.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -44.23 11.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.721 ' HA ' HG21 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -69.34 -57.74 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.949 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -49.78 -38.65 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -48.13 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 75' ' ' VAL . 4.9 t80 -52.11 -44.42 64.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 t -63.35 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 108.228 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -60.8 -13.84 17.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CG ' ' A' ' 27' ' ' PRO . 11.1 mmt180 -65.8 -2.79 4.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.59 HD11 ' CD ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.41 131.82 76.42 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -35.04 3.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -65.06 -11.19 36.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.7 121.42 35.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.39 -23.26 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.06 -9.41 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 15' ' ' SER . 2.3 t80 -132.34 148.69 52.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -81.2 153.17 71.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.0 159.31 41.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.433 1.754 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 11.3 mttt 165.13 -56.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.501 ' CG ' ' HB3' ' A' ' 16' ' ' ARG . 18.1 Cg_endo -75.1 -173.73 1.69 Allowed 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.04 132.97 25.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -137.59 135.11 36.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -145.53 133.52 21.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -117.11 138.97 51.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' CG ' ' HB ' ' A' ' 41' ' ' ILE . 5.0 ttmt -107.2 116.24 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 73.2 4.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG11 HG12 ' A' ' 41' ' ' ILE . 2.5 p -77.64 166.42 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' VAL . 1.5 m-20 -64.05 170.94 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -11.67 24.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.22 -8.78 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.11 47.63 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 61' ' ' PRO . . . 37.01 -113.15 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.882 HG21 ' OG1' ' A' ' 63' ' ' THR . 94.1 m -133.11 145.28 50.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.608 HD13 ' HB3' ' A' ' 58' ' ' SER . 15.4 mm -95.94 133.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 5.3 t -113.25 148.9 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 30' ' ' GLN . 5.5 ttt180 -145.11 106.0 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 110.321 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.623 HG22 HG13 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -122.74 135.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.91 128.94 17.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.958 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.5 mt -92.04 167.38 15.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 46' ' ' LEU . 18.3 Cg_endo -74.99 168.8 24.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.407 1.74 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.37 -16.53 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -17.11 64.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.21 141.63 30.83 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 81' ' ' LEU . 18.6 Cg_endo -74.94 -76.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 111.03 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.36 166.73 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.958 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.2 m 152.47 -20.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 8.3 pt-20 -54.32 136.98 42.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.867 ' HB ' ' HB1' ' A' ' 70' ' ' ALA . 0.5 OUTLIER -145.98 115.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 21.1 mt-10 -143.18 108.51 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.218 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 168.76 125.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.608 ' HB3' HD13 ' A' ' 41' ' ' ILE . 81.0 p -75.31 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.829 ' CD1' HD22 ' A' ' 60' ' ' LEU . 2.9 tm? -178.41 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.829 HD22 ' CD1' ' A' ' 59' ' ' LEU . 1.3 mm? -110.97 145.98 33.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HA ' ' CA ' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -123.28 145.45 48.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.969 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.882 ' OG1' HG21 ' A' ' 40' ' ' THR . 1.3 m -68.54 -51.25 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -44.37 66.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.92 -49.19 18.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -53.52 -47.85 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.59 ' CD ' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -69.55 -35.18 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 5.5 ttpt -66.62 -35.5 80.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' HD23 ' A' ' 60' ' ' LEU . 10.9 t70 -64.48 -60.85 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.867 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.39 -47.46 81.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.465 ' N ' HD13 ' A' ' 55' ' ' ILE . 1.7 t -53.14 -42.35 66.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.295 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.512 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.9 mt -58.67 -42.96 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.42 -31.34 62.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.592 ' HB2' HG21 ' A' ' 55' ' ' ILE . . . -61.64 -51.52 68.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' A' ' 10' ' ' MET . 5.0 p -56.92 -38.16 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -61.16 -46.09 91.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -56.5 -30.78 63.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 82' ' ' GLY . 0.9 OUTLIER -90.19 -33.51 16.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -65.36 -45.68 83.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.604 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -61.93 -27.72 69.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 51' ' ' PRO . 2.0 tp -93.08 -77.77 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 75.86 55.38 4.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -117.09 -6.07 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -129.17 18.9 5.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 88' ' ' LEU . 12.1 p30 -60.5 -15.16 24.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.341 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.75 -21.67 66.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' HB2' HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -76.74 -16.17 59.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -84.82 152.97 23.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.84 HD22 ' CB ' ' A' ' 92' ' ' SER . 6.3 mt -66.02 129.57 94.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -91.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -75.69 -22.0 57.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.84 ' CB ' HD22 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -63.46 -46.13 87.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.44 1.087 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' O ' ' CG1' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -69.76 -7.96 43.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 19.7 t0 -69.74 -8.15 45.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -128.01 61.73 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 8' ' ' SER . 2.1 pp -132.73 158.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 16.7 mt-10 -123.35 153.2 40.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.211 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -42.02 92.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -33.61 57.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 97' ' ' GLU . 14.5 tp -70.23 -41.29 73.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 25.2 m -54.54 160.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.051 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.571 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.76 136.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.389 1.056 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.33 -86.94 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -171.42 59.65 0.17 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -60.9 -26.71 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -59.45 -32.8 70.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.531 HG23 ' CG ' ' A' ' 11' ' ' TYR . 1.2 mm -69.12 -41.4 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 68.9 m -43.3 -29.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -43.36 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 111.08 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.973 ' HA ' HG21 ' A' ' 75' ' ' VAL . 54.3 mtm -72.36 -65.29 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 102' ' ' ASP . 0.2 OUTLIER -42.27 -38.52 1.81 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -49.45 -48.56 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 8.1 t80 -51.24 -41.71 60.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.43 -31.12 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.281 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 17' ' ' LEU . 3.1 t -59.02 -16.54 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' NE ' ' HG3' ' A' ' 27' ' ' PRO . 28.2 mtt85 -69.64 3.14 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.692 HD21 ' NZ ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -57.47 156.09 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -74.99 149.83 37.32 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.9 t-80 82.04 -7.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 23' ' ' PHE . 26.8 t70 -81.33 122.1 27.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -75.81 -25.02 55.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 8.2 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CE1' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -111.19 143.83 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.074 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.625 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 5.3 mm100 -101.92 155.42 36.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 109.33 2.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -179.63 -59.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -74.97 154.25 42.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.561 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.3 mm-40 -141.59 139.35 33.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -135.16 144.37 47.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.59 144.14 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -114.89 137.24 52.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.551 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -108.85 116.25 56.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 HG13 ' A' ' 41' ' ' ILE . 2.2 t -117.91 168.38 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.41 ' H ' HG12 ' A' ' 34' ' ' VAL . 77.3 m-20 -64.53 162.51 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.56 -14.26 28.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.24 15.98 5.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -164.65 31.8 0.25 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.01 -135.64 0.54 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 58' ' ' SER . 20.4 m -129.38 144.36 51.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG23 ' CA ' ' A' ' 57' ' ' SER . 21.8 mt -105.33 139.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 86.0 m -124.68 124.78 42.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -109.19 111.9 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -109.84 138.19 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -137.7 126.08 23.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.024 HD12 ' CB ' ' A' ' 53' ' ' SER . 12.2 mt -95.01 167.67 12.53 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HG3' ' CD ' ' A' ' 26' ' ' LYS . 18.0 Cg_endo -75.06 165.7 30.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -18.79 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -66.82 -17.94 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.025 ' HB2' HD21 ' A' ' 88' ' ' LEU . . . -120.59 133.11 24.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -69.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.3 pp -105.3 161.07 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.024 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.2 m 152.06 -19.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.718 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.1 pt-20 -67.48 135.53 53.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 54' ' ' GLU . 5.3 mm -147.01 121.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -139.2 115.29 10.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.558 ' CA ' HG23 ' A' ' 41' ' ' ILE . 4.8 t 167.81 142.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.5 ' CB ' HG12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -75.07 162.68 28.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.014 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.658 HD12 HD22 ' A' ' 60' ' ' LEU . 2.8 tm? -175.74 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.658 HD22 HD12 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -113.72 141.44 26.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.471 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.0 1.67 7.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -120.21 150.24 40.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 22.3 m -71.27 -52.11 20.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -43.97 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.586 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -74.64 -48.37 26.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 62' ' ' SER . . . -51.09 -47.02 61.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.692 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -69.21 -35.99 76.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.544 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 25.4 tttt -59.29 -36.32 75.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.08 -63.56 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.606 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.73 -35.14 70.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 m -65.81 -47.28 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 4.2 mt -66.56 -39.54 88.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -71.21 -32.87 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -66.38 -50.39 63.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.973 HG21 ' HA ' ' A' ' 10' ' ' MET . 8.5 p -64.06 -39.77 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -47.87 79.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.2 -31.25 65.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 78' ' ' LEU . 3.5 tm? -85.09 -32.99 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.52 -46.53 54.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -83.29 -71.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 48.39 59.64 6.34 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HB ' HD22 ' A' ' 81' ' ' LEU . 9.9 p -99.26 -13.16 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' A' ' 87' ' ' PHE . 1.4 mt -126.77 23.84 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -56.25 -18.81 11.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.55 -22.1 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CG ' HD22 ' A' ' 84' ' ' LEU . 1.2 m-85 -93.3 -17.21 23.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.025 HD21 ' HB2' ' A' ' 50' ' ' ALA . 1.6 mt -107.44 150.32 26.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 124.07 77.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -163.82 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 95' ' ' GLU . 9.5 p-10 -105.89 -21.96 13.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.4 p -60.72 -49.47 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -21.52 64.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.84 -33.35 15.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' ASP . 2.4 mm-40 43.61 64.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 110.27 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.595 HG22 ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -122.69 171.23 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.595 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.7 pt-20 -98.89 152.16 20.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -63.15 -15.78 57.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.71 -39.39 44.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -74.97 -40.89 60.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 24.1 m -54.74 160.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.57 ' HB3' ' CD2' ' A' ' 11' ' ' TYR . 12.1 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.68 -83.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.62 63.91 0.21 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.478 ' HA3' HD13 ' A' ' 7' ' ' ILE . . . -58.0 97.28 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -76.16 -53.31 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.969 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -61.78 -44.3 97.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.3 mp -59.81 -50.83 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 7' ' ' ILE . 21.4 p -33.1 -35.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 7' ' ' ILE . 3.8 tpt -95.95 -42.28 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.868 ' HA ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.59 -19.03 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 111.037 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.621 ' CD1' ' HA ' ' A' ' 101' ' ' SER . 0.1 OUTLIER -70.94 -54.49 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -36.57 -40.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.08 -54.52 43.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 0.0 111.056 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' HB3' ' CA ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -64.98 -29.96 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.341 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.575 ' HB3' ' CD2' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -52.33 -17.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -69.6 6.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.737 HD23 ' OD1' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -53.06 115.09 6.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.04 78.3 2.94 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER 160.87 -23.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -73.93 119.65 18.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -78.76 -19.5 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -62.97 -25.07 68.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 15' ' ' SER . 16.4 t80 -132.7 149.19 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -87.97 153.83 52.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.15 4.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.41 -51.53 1.92 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.403 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -75.01 162.8 36.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -140.04 162.3 35.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 20.8 m-30 -134.3 143.17 47.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -140.96 132.83 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CB ' ' CG2' ' A' ' 63' ' ' THR . 32.0 p90 -116.45 134.29 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.26 118.83 43.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 111.78 3.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 41' ' ' ILE . 19.1 t -121.93 169.48 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.8 t0 -63.41 159.82 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.93 -12.02 22.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -7.15 25.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -160.7 48.84 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 34.35 -125.36 0.51 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 58' ' ' SER . 7.2 m -132.16 149.19 52.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.573 0.807 . . . . 0.0 110.395 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.62 ' CD1' HG21 ' A' ' 34' ' ' VAL . 35.5 mt -97.52 140.2 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' A' ' 67' ' ' LYS . 57.1 m -123.12 129.54 51.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.3 ttm180 -112.23 109.46 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -100.32 136.91 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -143.2 121.8 12.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.022 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.3 mt -93.36 167.43 14.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HG3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 171.2 18.79 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -15.38 14.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.98 -18.17 64.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.55 138.93 27.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' HG2' HD12 ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.09 -69.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.637 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -105.67 170.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.022 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.8 t 146.97 -13.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.941 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.737 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.2 pt-20 -64.92 133.46 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.4 mm -148.08 128.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 12.7 mt-10 -142.0 114.3 8.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.7 p 166.12 135.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.42 169.73 17.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.647 HD12 HD22 ' A' ' 60' ' ' LEU . 2.9 tm? -176.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD22 HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -112.53 149.79 41.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.445 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.4 Cg_endo -74.91 1.68 7.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -128.45 146.13 50.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.461 ' CG2' ' CB ' ' A' ' 31' ' ' PHE . 1.1 m -71.36 -41.57 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.6 mt-10 -56.85 -45.21 82.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.42 -48.01 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' SER . . . -50.93 -39.49 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.541 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -68.99 -35.51 76.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.541 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.1 ttmt -58.72 -34.83 71.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.91 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -57.26 -30.21 64.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.632 ' SG ' ' CE1' ' A' ' 13' ' ' TYR . 13.8 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD13 ' SD ' ' A' ' 10' ' ' MET . 0.4 OUTLIER -68.39 -44.26 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -55.59 -34.23 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -40.35 76.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.868 HG21 ' HA ' ' A' ' 10' ' ' MET . 40.7 t -56.45 -47.16 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -47.64 85.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -31.29 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' GLY . 27.6 tp -85.15 -32.95 22.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -72.92 -47.0 49.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.542 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -59.96 -40.44 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.592 HD13 ' H ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -91.98 -78.99 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 38.03 54.4 1.98 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.592 ' H ' HD13 ' A' ' 81' ' ' LEU . 2.1 t -102.62 0.73 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.41 30.76 6.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.406 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 16.3 p-10 -53.92 -19.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -63.08 -21.48 66.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -94.42 -16.43 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -99.48 154.46 18.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.814 HD12 ' CA ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -63.48 121.82 72.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -92.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 94' ' ' ASP . 2.6 p30 -71.01 -22.45 62.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.476 ' CB ' ' HB2' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -61.63 -35.21 77.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.935 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.814 ' CA ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.27 -2.89 30.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 20.3 t70 -69.5 -9.1 52.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 95' ' ' GLU . 3.3 pt-20 -108.26 42.16 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.511 HD13 ' HD2' ' A' ' 11' ' ' TYR . 1.4 pp -124.8 138.06 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -123.14 153.59 39.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.558 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -58.74 -34.28 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.2 -32.42 49.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HA ' HD12 ' A' ' 100' ' ' LEU . 11.8 tp -67.11 -8.01 27.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.621 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 91.6 p -53.28 136.6 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.945 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.737 ' OD1' HD23 ' A' ' 17' ' ' LEU . 29.3 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 47.73 79.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.035 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.1 -70.05 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.46 53.37 0.31 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 p -60.88 -43.52 98.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 110.029 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -31.88 73.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 10' ' ' MET . 1.6 mt -61.02 -44.05 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 m -39.69 -31.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.421 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -82.5 -46.6 13.22 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.543 ' HA ' HG21 ' A' ' 75' ' ' VAL . 1.3 mpt? -64.06 -71.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD1' ' HA ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -40.61 -28.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.687 ' HZ3' HD12 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -57.8 -48.58 79.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 74' ' ' ALA . 4.8 t80 -50.61 -39.23 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -37.0 82.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -77.51 -16.17 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.1 mtt-85 -71.84 4.84 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -56.57 160.9 4.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.87 10.46 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.688 ' HB2' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.01 -2.6 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 26.1 t70 -97.32 119.56 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.28 -28.58 42.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.69 -8.21 13.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -129.19 140.13 51.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 6.3 pm0 -62.19 155.25 66.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 48.6 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.598 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -94.65 -64.18 0.13 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 26' ' ' LYS . 18.4 Cg_endo -74.97 150.28 38.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.67 ' O ' HD13 ' A' ' 44' ' ' ILE . 4.8 mt-10 -141.22 139.38 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -135.87 140.08 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.98 143.18 30.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -115.48 134.94 54.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -104.47 115.85 62.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.341 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.85 3.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 35' ' ' ASP . 21.4 t -117.67 167.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -64.45 163.59 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.354 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -13.96 25.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -84.14 14.21 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' GLY . . . -168.24 29.9 0.17 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 36.8 -137.93 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.784 HG21 ' HA ' ' A' ' 63' ' ' THR . 5.8 m -125.95 141.28 52.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.463 HG23 ' CA ' ' A' ' 57' ' ' SER . 12.1 mt -100.88 145.03 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.563 ' SG ' ' HB3' ' A' ' 70' ' ' ALA . 5.5 t -124.07 129.83 51.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 108.299 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.58 108.05 16.63 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.583 1.177 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -116.72 136.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -143.78 117.98 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.852 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 11.8 mt -84.66 164.1 43.95 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.83 19.55 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -18.21 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -71.46 -14.57 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.852 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -120.29 133.38 23.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.453 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.98 -73.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.424 1.749 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.634 ' O ' ' CB ' ' A' ' 53' ' ' SER . 1.3 pp -106.04 165.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.721 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.4 m 147.96 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.696 ' O ' HD13 ' A' ' 55' ' ' ILE . 15.6 mt-10 -66.72 136.07 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 54' ' ' GLU . 6.9 mm -146.8 112.5 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 57' ' ' SER . 20.3 mt-10 -127.43 108.15 10.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 162.22 142.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 40' ' ' THR . 2.8 p -75.35 172.23 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' OD2' ' A' ' 69' ' ' ASP . 8.9 tt -175.72 -34.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 69' ' ' ASP . 1.3 mm? -111.61 143.53 28.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.3 Cg_endo -74.92 1.65 7.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.536 1.808 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.13 148.93 43.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.784 ' HA ' HG21 ' A' ' 40' ' ' THR . 79.8 p -71.39 -54.46 10.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 2.9 mt-10 -53.5 -35.86 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -80.43 -50.81 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.82 -39.59 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 28.1 pttt -68.76 -36.32 78.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -66.29 -35.61 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.657 ' OD2' HD13 ' A' ' 59' ' ' LEU . 22.0 t70 -59.81 -66.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.625 ' HA ' HG21 ' A' ' 55' ' ' ILE . . . -56.55 -38.13 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.899 ' O ' HG23 ' A' ' 75' ' ' VAL . 20.0 m -63.19 -46.78 85.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 10' ' ' MET . 6.9 mt -67.8 -46.51 71.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -59.91 -35.72 75.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . . . -68.8 -43.74 75.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 71' ' ' CYS . 96.6 t -59.88 -47.43 91.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.67 -43.18 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.596 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.543 ' OE2' ' CA ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -62.74 -28.82 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.2 tm? -88.68 -42.29 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 5.0 t60 -59.69 -46.05 90.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.654 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -57.17 -28.84 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD22 ' HB ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -97.84 -77.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 58.62 58.46 14.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' HD22 ' A' ' 81' ' ' LEU . 6.7 p -100.4 7.37 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -124.97 24.14 7.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.627 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -55.18 -18.86 6.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -80.54 -21.94 41.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.26 -16.12 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 85' ' ' ASN . 14.5 mt -85.14 152.95 23.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 92' ' ' SER . 2.5 mt -65.85 124.69 88.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -92.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.536 1.809 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -23.9 59.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.721 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -59.95 -46.46 89.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -13.29 56.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -81.53 -8.56 59.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -110.63 46.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.687 HD12 ' HZ3' ' A' ' 12' ' ' LYS . 1.1 mm -122.1 170.91 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.583 ' N ' HG22 ' A' ' 96' ' ' ILE . 8.6 mm-40 -123.6 153.12 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.42 -40.74 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 -43.29 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.544 HD23 HG23 ' A' ' 96' ' ' ILE . 11.6 tp -54.78 -52.46 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 11' ' ' TYR . 83.7 p -55.78 146.38 21.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.051 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.45 88.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.088 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.41 49.12 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.26 -105.72 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -63.79 -27.16 68.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 110.063 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -57.9 -31.54 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.538 HD13 ' SD ' ' A' ' 10' ' ' MET . 0.4 OUTLIER -60.0 -39.6 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ILE . 1.8 t -37.94 -30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 96.8 mmm -82.86 -61.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.763 ' HA ' HG11 ' A' ' 75' ' ' VAL . 5.5 ptp -58.9 -32.56 69.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.686 ' CD2' HD13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -65.45 -51.95 56.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' TYR . 10.3 mttp -40.06 -36.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.832 ' CD2' HG22 ' A' ' 75' ' ' VAL . 1.2 t80 -69.0 -39.05 79.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 111.076 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' TYR . 1.2 t -76.8 -50.35 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.647 ' CB ' ' CE1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -47.64 -20.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.583 HH21 ' HB3' ' A' ' 27' ' ' PRO . 10.1 mtp-105 -69.7 1.49 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.957 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -56.97 151.08 35.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.573 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.9 -38.77 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -14.62 28.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.544 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -80.9 120.53 24.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.1 -29.19 48.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -3.96 24.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -132.28 144.51 50.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.25 154.16 57.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.21 3.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 2.8 mttt -78.46 -51.22 1.55 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.583 ' HB3' HH21 ' A' ' 16' ' ' ARG . 18.3 Cg_endo -74.89 -169.21 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -143.1 139.55 30.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -136.57 134.86 37.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.75 137.92 26.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -116.9 131.25 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.397 1.061 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.575 ' CD ' HD12 ' A' ' 41' ' ' ILE . 3.0 ttmm -115.67 110.48 44.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.43 6.05 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.555 HG21 HG13 ' A' ' 41' ' ' ILE . 16.5 t -114.3 169.65 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -63.43 157.02 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -63.08 -11.55 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -8.42 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.19 -74.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.09 -129.41 1.99 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -132.43 144.09 50.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 0.0 110.469 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.575 HD12 ' CD ' ' A' ' 32' ' ' LYS . 38.0 mt -100.8 141.42 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.754 ' SG ' HD13 ' A' ' 44' ' ' ILE . 3.2 t -123.06 128.66 50.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HG3' ' CG ' ' A' ' 56' ' ' GLU . 2.8 ttp180 -109.72 108.49 18.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.754 HD13 ' SG ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -119.37 135.62 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.44 113.49 5.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.93 HD12 ' CB ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -74.01 167.23 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' CD ' HD23 ' A' ' 46' ' ' LEU . 18.5 Cg_endo -74.97 177.95 7.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.787 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.96 -13.74 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.33 -13.75 60.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.776 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -119.45 138.82 26.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.04 -77.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.44 1.758 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.704 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.3 pp -105.96 166.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.93 ' CB ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER 152.94 -20.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.049 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 11.8 mt-10 -48.29 135.93 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.812 HG21 ' HB2' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -148.72 115.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.364 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 43' ' ' ARG . 16.5 mt-10 -142.62 102.51 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER 166.49 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 40' ' ' THR . 85.1 p -76.64 179.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 1.068 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER 176.57 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.041 HD13 HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -110.35 150.46 41.62 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.01 13.29 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.427 1.751 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -120.3 151.22 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 55.1 m -72.22 -52.18 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 8.5 mt-10 -54.36 -37.55 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.847 ' HB1' HD23 ' A' ' 60' ' ' LEU . . . -79.3 -50.3 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 40' ' ' THR . . . -54.96 -48.19 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.957 ' NZ ' HD11 ' A' ' 17' ' ' LEU . 1.6 pttt -68.93 -35.79 77.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.585 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 32.3 tttm -67.01 -41.46 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.709 ' CG ' HD22 ' A' ' 59' ' ' LEU . 12.4 t70 -58.25 -62.52 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.785 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -54.71 -47.92 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.936 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.1 t -56.28 -46.98 79.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 1.163 . . . . 0.0 108.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -59.17 -48.14 82.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -65.58 -32.76 74.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.812 ' HB2' HG21 ' A' ' 55' ' ' ILE . . . -66.42 -41.45 89.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 71' ' ' CYS . 37.1 t -55.72 -40.31 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -46.93 88.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.34 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.0 tm? -86.78 -30.96 21.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' VAL . 1.4 t-80 -72.41 -47.24 50.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.517 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -61.7 -28.69 69.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' CG1' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -97.21 -81.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 44.02 62.2 2.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -114.43 -7.73 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mt -117.4 20.11 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -64.63 -15.27 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.49 -21.41 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.91 -16.37 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.29 152.14 22.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.801 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -65.92 147.14 98.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -105.55 -22.14 13.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.8 p -73.25 -49.57 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.051 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -74.15 -11.1 60.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -88.51 -24.57 22.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.391 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 94' ' ' ASP . 1.6 mm-40 33.61 75.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.113 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.686 HD13 ' CD2' ' A' ' 11' ' ' TYR . 2.5 pp -127.8 167.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.05 153.04 40.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 101' ' ' SER . 0.4 OUTLIER -60.66 -52.14 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -32.08 65.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.88 0.09 19.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.674 ' HA ' ' CD1' ' A' ' 11' ' ' TYR . 58.9 p -53.65 144.45 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' HD13 ' A' ' 17' ' ' LEU . 12.3 t0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.8 pt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 m -147.48 144.18 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.95 165.92 26.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.04 92.17 0.11 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.34 -30.81 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -62.31 -31.87 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -67.65 -32.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' ILE . 28.7 m -36.12 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -99.17 -56.86 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.513 ' HA ' HG11 ' A' ' 75' ' ' VAL . 2.0 tmt? -53.97 -19.32 4.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' LYS . 2.6 t80 -71.13 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -36.84 -43.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -51.89 -53.5 40.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 102' ' ' ASP . 35.3 m -64.45 -45.62 86.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -50.53 -20.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -78.0 4.17 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 20' ' ' ASP . 15.2 tp -58.36 114.53 8.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.231 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.13 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -15.4 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.699 ' HB2' HD23 ' A' ' 17' ' ' LEU . 38.3 t70 -82.91 122.57 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -76.04 -28.87 57.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.85 73.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 72.8 t80 -95.5 139.49 31.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CE2' ' A' ' 23' ' ' PHE . 2.8 mp0 -75.22 151.96 85.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -75.0 154.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.568 1.825 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 6.3 mttp 169.18 -54.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 26' ' ' LYS . 18.5 Cg_endo -74.93 164.6 33.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.66 144.64 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 6.6 p90 -133.18 132.22 41.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.45 136.49 33.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.677 ' CB ' HG23 ' A' ' 63' ' ' THR . 13.1 p90 -114.48 133.74 55.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.751 ' HG2' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.14 118.19 56.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.735 HG21 HG13 ' A' ' 41' ' ' ILE . 10.7 t -125.62 171.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' H ' HG12 ' A' ' 34' ' ' VAL . 2.1 m-20 -61.7 140.73 58.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.58 -11.37 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.41 1.069 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -63.83 -8.56 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.14 -45.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 61' ' ' PRO . . . 139.38 -135.54 7.33 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.566 HG21 ' OG1' ' A' ' 63' ' ' THR . 2.9 m -133.11 153.59 51.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.751 HD12 ' HG2' ' A' ' 32' ' ' LYS . 56.0 mt -98.01 147.24 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -117.06 128.18 54.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 108.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -121.3 108.17 13.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.634 ' HB ' HD11 ' A' ' 55' ' ' ILE . 0.9 OUTLIER -120.59 139.63 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 45' ' ' THR . 5.4 t -143.27 113.65 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.702 HD12 ' CB ' ' A' ' 53' ' ' SER . 11.4 mt -81.52 164.93 47.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.357 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -74.95 175.7 10.88 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.11 -24.54 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.665 ' CG ' HD21 ' A' ' 88' ' ' LEU . 22.0 p30 -69.47 -7.98 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' LEU . . . -117.67 147.3 40.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CD2' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -75.09 -91.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.816 HG13 HD12 ' A' ' 81' ' ' LEU . 1.2 pp -106.3 175.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.702 ' CB ' HD12 ' A' ' 46' ' ' LEU . 1.9 m 151.06 -19.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -53.78 139.52 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.85 ' O ' HD12 ' A' ' 55' ' ' ILE . 2.7 pp -147.06 124.97 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 4.2 mt-10 -141.88 84.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.21 132.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -76.71 166.33 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.029 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.651 HD12 HD22 ' A' ' 60' ' ' LEU . 2.7 tm? -177.3 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 HD12 ' A' ' 59' ' ' LEU . 1.7 mm? -112.61 144.77 31.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HA ' ' HA2' ' A' ' 39' ' ' GLY . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.0 145.51 44.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.677 HG23 ' CB ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -72.03 -50.84 25.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.416 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -35.44 75.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.36 -51.92 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -51.28 -43.74 61.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -69.2 -43.01 75.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 ttpm? -60.2 -42.73 95.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 7.2 t70 -59.58 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB1' ' HB ' ' A' ' 55' ' ' ILE . . . -56.69 -41.4 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 6.0 m -55.22 -41.91 72.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -59.54 -43.81 93.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.077 . . . . 0.0 109.224 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.86 84.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.82 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 10' ' ' MET . 0.5 OUTLIER -57.29 -44.47 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -47.86 72.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.541 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.5 mt-10 -57.23 -31.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' GLY . 2.4 tm? -83.23 -34.84 25.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.73 -47.4 47.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -37.36 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.816 HD12 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -85.52 -74.65 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . 40.22 55.73 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.545 ' HB ' HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -90.28 -11.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HG ' HG13 ' A' ' 83' ' ' VAL . 49.3 mt -128.27 6.76 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -67.19 -14.89 63.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.79 -21.66 66.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -16.52 23.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 49' ' ' ASN . 35.8 mt -107.54 152.1 24.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -69.3 124.58 90.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -104.15 -22.11 13.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.41 -49.41 22.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.922 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -65.93 -15.06 62.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -89.44 -17.62 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' ASP . 0.7 OUTLIER 36.75 77.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 94' ' ' ASP . 2.1 pp -127.65 172.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.57 153.99 19.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.454 ' HA ' HG21 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -32.15 56.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.78 -2.91 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.4 p -53.88 161.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . 11.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.373 -179.916 . . . . . . . . 1 1 . 1 stop_ save_