data_2dhz_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 2dhz _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 ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -144.78 175.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.69 101.44 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.5 t -78.22 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -134.02 123.01 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 49.4 t -99.68 101.7 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 48.0 m-85 -69.51 127.14 31.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.1 mmt -80.1 165.18 48.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -13.19 21.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.43 13.4 31.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.566 ' CD2' HD22 ' A' ' 101' ' ' LEU . 47.5 m170 66.49 79.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.87 87.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.014 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -86.38 178.78 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.63 169.88 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -112.13 110.18 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.89 136.77 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -91.21 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -131.97 168.29 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.94 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.7 26.51 2.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -143.23 18.44 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.8 -163.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 p -146.64 165.4 29.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.3 -48.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 16.4 pt20 -59.51 -48.57 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 15.2 t0 -51.26 -60.65 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.476 HD13 ' CE1' ' A' ' 78' ' ' PHE . 5.5 mt -50.09 -58.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ILE . 28.0 mt -39.98 -59.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.73 -45.63 24.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 m -64.0 -60.95 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 43' ' ' LEU . 78.6 t -51.52 -50.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.6 m -43.56 -39.51 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -39.78 95.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.23 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mmtt -63.72 -36.96 85.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 39' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.8 pt -113.88 143.78 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 11.8 tp -88.58 153.39 21.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 95' ' ' TYR . 57.7 t -155.32 135.51 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.64 121.07 35.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 84.4 t -118.67 130.35 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -111.3 168.24 9.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -66.94 70.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.1 t -176.08 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.63 13.0 7.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.82 95.95 5.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -89.55 140.31 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.77 91.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.73 111.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.08 -179.45 7.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -131.77 155.84 80.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.01 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -115.71 46.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -87.62 -175.39 5.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -133.12 -72.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.9 m -108.07 97.92 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.02 -70.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.8 m-30 -38.64 -31.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -85.35 -49.15 8.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.18 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER -52.04 124.57 13.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.49 ' N ' ' HG ' ' A' ' 85' ' ' SER . . . -59.75 -141.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.76 -57.27 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.01 52.38 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.49 ' HG ' ' N ' ' A' ' 82' ' ' GLY . 31.9 p -124.94 148.98 48.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -137.38 138.69 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' TYR . 48.3 mt -88.0 135.75 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 16' ' ' MET . 9.0 m-85 -126.56 124.78 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -111.29 114.16 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.482 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.3 p -160.85 173.99 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.8 p -61.5 -175.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -32.42 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.48 -11.66 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 m -98.52 -21.46 16.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.3 t80 -45.17 -41.55 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -75.62 -38.9 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.482 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 60.8 mt -59.19 143.48 48.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 80.5 t -132.86 142.66 45.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -53.79 163.32 1.14 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.597 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -149.26 177.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -115.83 101.19 8.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t -78.02 142.26 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.57 ' CG ' ' CE2' ' A' ' 21' ' ' TYR . 1.3 mpt_? -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG23 ' CG2' ' A' ' 39' ' ' VAL . 12.7 t -90.21 100.76 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 9.6 m-85 -70.24 127.1 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -76.43 165.26 54.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.1 Cg_endo -74.99 3.88 5.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.565 1.824 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -122.23 13.06 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.419 ' NE2' HD23 ' A' ' 101' ' ' LEU . 50.0 m170 66.15 70.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -169.01 87.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' ' CG ' ' A' ' 13' ' ' ARG . 8.8 p90 -86.29 178.99 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.07 158.08 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -96.8 124.95 40.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 pt -128.39 -179.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -135.9 108.27 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -132.21 168.43 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -90.78 157.11 17.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -68.0 -23.84 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 23.63 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 -178.51 6.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 p -128.04 167.66 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.6 t -48.85 -48.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -49.49 -60.27 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -40.29 -57.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 HD11 ' CE1' ' A' ' 78' ' ' PHE . 4.2 mt -53.66 -59.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' A' ' 32' ' ' VAL . 20.9 mt -45.8 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.09 -45.43 7.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.7 m -67.17 -68.11 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.943 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 14' ' ' VAL . 40.7 t -41.35 -45.73 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -43.72 -41.59 4.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 2.7 mm-40 -60.43 -39.21 86.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' VAL . 25.7 mmmt -64.74 -37.04 86.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CD2' HG11 ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 pt -120.57 147.04 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.444 ' CD2' HG22 ' A' ' 32' ' ' VAL . 14.0 tp -89.82 149.25 22.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.572 HG23 ' CD2' ' A' ' 95' ' ' TYR . 39.4 t -151.16 132.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.75 121.26 38.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -115.96 135.93 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.409 ' OG ' ' OG ' ' A' ' 85' ' ' SER . 0.6 OUTLIER -105.89 167.15 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.046 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m -70.98 66.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -173.43 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.61 39.87 0.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -107.31 96.77 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -87.11 143.98 27.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.3 t -140.0 90.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.36 110.36 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.4 mt -82.43 176.38 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.53 153.25 77.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 p -116.67 40.39 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.54 -176.1 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 13.2 t0 -132.79 -71.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 94.6 m -106.86 96.82 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 108.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' THR . 37.6 t -95.24 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.597 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 8.0 m-30 -38.18 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.1 m -84.3 -52.12 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -50.31 -45.02 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -39.56 143.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.05 -166.49 17.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.56 -50.38 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.8 57.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.409 ' OG ' ' OG ' ' A' ' 62' ' ' SER . 56.7 m -121.65 130.27 53.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -109.09 143.35 38.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.574 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' TYR . 36.7 mt -87.71 120.57 29.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 10.7 m-85 -112.74 125.24 54.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.97 114.01 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.491 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 8.1 p -157.12 176.23 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.6 p -65.51 154.87 37.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -31.68 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -0.84 33.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.433 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 7.8 m -119.48 -5.83 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.572 ' CD2' HG23 ' A' ' 59' ' ' VAL . 2.4 t80 -59.97 -40.26 88.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.36 -12.86 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.59 -3.94 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 51.9 mt -69.51 146.92 51.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 60.5 t -138.95 143.48 37.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.97 133.69 16.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -56.22 161.99 3.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.619 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 5.3 pt -145.68 176.57 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 63.4 m-85 -111.89 101.42 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.8 t -83.66 150.11 26.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -136.76 114.51 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' CG2' ' A' ' 39' ' ' VAL . 98.1 t -89.47 106.15 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 17.9 m-85 -73.25 120.64 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.5 mmt -73.08 166.42 43.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.3 Cg_endo -74.99 -11.24 21.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -106.02 10.57 32.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.578 ' CD2' HD23 ' A' ' 101' ' ' LEU . 62.5 m170 67.59 82.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.94 85.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 32.4 p90 -87.0 178.73 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.01 172.86 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -111.03 111.1 21.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.51 138.76 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.2 ttm180 -96.57 116.59 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -132.2 167.73 19.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.56 144.89 24.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.29 -16.49 46.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.84 27.46 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.88 174.9 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.3 m -120.04 172.8 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.57 -50.22 41.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -48.78 -60.56 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.14 -59.27 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' CE1' ' A' ' 78' ' ' PHE . 5.2 mt -49.8 -60.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ILE . 21.2 mt -39.98 -56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.01 -44.47 25.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 m -69.29 -50.2 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' HG23 ' A' ' 14' ' ' VAL . 46.0 t -56.55 -53.68 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 39' ' ' VAL . 40.5 m -33.51 -55.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.84 -53.0 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' VAL . 11.6 mptt -50.5 -41.05 52.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 39' ' ' VAL . 2.8 mm? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.6 pt -116.8 143.0 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tp -88.94 146.06 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.553 HG22 ' CD2' ' A' ' 95' ' ' TYR . 47.1 t -146.67 139.72 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.85 121.06 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.4 t -115.26 135.3 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.71 165.92 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.46 67.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.41 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.81 35.5 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.49 95.89 7.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.767 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -88.73 138.92 30.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 t -137.83 88.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.51 110.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.6 mt -79.82 -179.86 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -134.72 154.68 79.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.07 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p -117.5 43.05 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -85.37 -175.3 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -130.6 -70.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.7 m -112.19 97.38 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.86 -64.75 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.619 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 9.8 m-30 -42.01 -28.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 m -90.39 -51.23 5.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.43 -44.81 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -43.48 140.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.74 -153.76 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.54 -56.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -109.93 45.97 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -105.99 128.15 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -108.85 146.74 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' TYR . 12.6 mt -88.15 137.92 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 59' ' ' VAL . 11.3 m-85 -129.02 121.96 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.13 114.69 28.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.415 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.6 p -159.27 173.88 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.7 p -67.78 177.09 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -77.67 -15.58 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -9.37 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ALA . 1.3 m -110.75 -19.88 12.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.553 ' CD2' HG22 ' A' ' 59' ' ' VAL . 3.1 t80 -43.57 -44.68 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.31 -28.33 56.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -70.53 -7.71 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 53.5 mt -68.12 150.48 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 79.2 t -139.46 143.57 36.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.492 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.578 HD23 ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -51.1 163.48 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.1 pt -147.55 176.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -117.46 101.3 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.503 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 2.0 t -79.77 146.43 32.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -136.39 119.27 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' CG2' HG21 ' A' ' 39' ' ' VAL . 47.3 t -95.59 106.11 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 30.0 m-85 -75.78 122.16 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 34.7 mmt -72.96 164.28 62.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.2 Cg_endo -74.95 4.49 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.84 11.43 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.572 ' CD2' HD21 ' A' ' 101' ' ' LEU . 58.8 m170 66.91 82.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -175.97 80.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -86.92 178.31 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.03 168.82 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.61 116.96 32.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.68 135.86 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.88 110.95 20.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -131.9 164.41 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -103.43 173.0 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -90.66 39.99 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' ALA . 45.0 m -134.54 -44.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' SER . . . -49.15 176.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.42 178.34 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 t -50.04 -56.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 20.2 pt20 -42.01 -47.25 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -54.78 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -47.68 -54.41 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -44.78 -53.64 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.3 -50.46 66.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -58.08 -52.75 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' CD2' ' A' ' 43' ' ' LEU . 48.2 t -59.86 -50.49 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 m -47.35 -27.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -35.52 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.2 mmmt -70.52 -34.95 72.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 39' ' ' VAL . 4.3 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 92' ' ' ARG . 1.3 pt -133.91 139.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.444 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 9.3 tp -88.58 143.81 26.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.434 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -144.3 135.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 121.39 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t -115.39 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.7 t -107.68 164.16 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -22.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 27.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 44.52 40.87 6.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -92.0 97.64 11.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -86.51 130.38 34.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.59 94.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.73 103.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 87' ' ' LEU . 31.9 mt -73.6 172.87 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -131.18 156.13 80.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.09 14.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 47.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -86.07 -178.78 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -114.16 -61.11 1.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.2 m -133.0 104.99 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.6 t -94.84 -64.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.538 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 10.4 m-30 -39.71 -35.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 m -84.09 -52.65 6.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.97 -48.58 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.99 128.83 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.98 -161.23 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.413 HG23 ' ND2' ' A' ' 84' ' ' ASN . 2.9 mt -78.75 -61.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' ND2' HG23 ' A' ' 83' ' ' ILE . 2.4 m120 -99.82 48.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.4 m -113.17 134.08 54.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.8 m-70 -118.34 146.4 44.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.138 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' HD23 ' A' ' 81' ' ' LEU . 74.4 mt -88.03 125.22 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' VAL . 9.0 m-85 -118.22 124.92 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' A' ' 58' ' ' LEU . . . -119.51 113.97 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.528 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 13.8 p -162.6 176.89 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.0 p -61.28 155.05 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 3.7 mtm180 -63.26 -25.07 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -5.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.415 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.2 m -113.75 -15.08 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 3.8 t80 -47.98 -40.97 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.35 -23.63 43.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.52 -5.58 56.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.84 140.15 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 72.4 t -133.4 142.77 45.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.02 132.16 15.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -51.49 162.86 0.64 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.1 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.601 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -150.33 177.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 m-85 -113.41 101.44 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -80.87 144.15 32.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.529 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -118.96 119.8 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 89' ' ' ALA . 87.6 t -108.35 99.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 10.7 m-85 -73.11 158.14 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.449 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.4 mmt -107.06 164.29 15.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.3 Cg_endo -74.96 4.67 4.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -119.06 15.81 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.486 ' CD2' HD22 ' A' ' 101' ' ' LEU . 19.0 m170 66.93 74.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -175.51 114.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 14.5 p90 -113.66 176.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.93 171.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 m -114.59 113.25 24.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.21 134.03 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 11.7 ttp180 -95.82 111.04 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.503 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 25.8 t -131.78 169.22 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -89.81 158.48 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.61 -12.22 51.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 p -85.62 -29.96 23.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.503 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -58.27 126.97 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -93.7 175.73 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.0 t -40.59 -52.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -49.46 -57.1 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -46.79 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 ' CE1' ' A' ' 78' ' ' PHE . 3.7 mt -41.54 -57.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ILE . 12.1 mt -40.25 -48.24 2.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.68 -50.74 63.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -58.56 -46.83 86.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 0.793 . . . . 0.0 109.978 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 40' ' ' THR . 25.2 t -57.89 -57.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' VAL . 23.3 m -32.64 -53.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -43.52 -58.71 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -45.26 -41.7 8.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 HD22 ' CG1' ' A' ' 39' ' ' VAL . 2.6 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.472 HD11 ' CD ' ' A' ' 92' ' ' ARG . 3.8 pt -118.01 144.32 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.417 ' CD2' HG22 ' A' ' 32' ' ' VAL . 8.4 tp -90.94 151.39 21.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 95' ' ' TYR . 46.7 t -153.63 136.63 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.35 121.65 40.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 52.6 t -119.62 134.54 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 2.3 t -114.8 168.37 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 69.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t -174.84 -38.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.67 9.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.81 100.36 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -92.17 145.38 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.2 t -141.45 95.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.24 111.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.8 mt -82.71 176.28 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -130.39 156.01 80.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -9.11 20.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 p -111.96 47.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.72 -178.6 6.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.11 -71.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.0 m -118.28 100.94 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 t -93.89 -60.38 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 12.6 m-30 -42.07 -30.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -88.95 -51.83 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.87 -43.29 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -39.89 145.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.1 -170.06 13.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.86 -49.48 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -120.58 51.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 138.69 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 5.1 m-70 -113.22 142.32 45.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.556 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' TYR . 54.1 mt -87.76 115.58 25.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CE2' ' O ' ' A' ' 16' ' ' MET . 9.5 m-85 -105.41 118.58 36.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . -114.33 113.25 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.534 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 14.1 p -163.12 176.98 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.7 p -54.28 169.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.472 ' CD ' HD11 ' A' ' 57' ' ' ILE . 5.0 mmm180 -72.62 -43.86 62.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -10.21 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.421 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 21.3 m -98.83 -9.31 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 59' ' ' VAL . 4.3 t80 -59.0 -37.34 76.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.49 -10.71 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.22 11.23 37.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 47.9 mt -83.64 127.42 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 54.0 t -117.75 141.4 28.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.03 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.69 163.0 1.16 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 27' ' ' ARG . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.57 HD12 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -142.74 178.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 47.5 m-85 -118.51 101.53 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 3.8 t -80.39 151.75 29.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -137.31 126.73 24.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 39' ' ' VAL . 56.0 t -103.05 107.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CB ' ' CE1' ' A' ' 88' ' ' PHE . 53.3 m-85 -77.57 121.74 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.513 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 32.2 mmt -73.45 165.1 56.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.4 Cg_endo -74.97 -12.69 21.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.89 11.56 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.566 ' CD2' HD22 ' A' ' 101' ' ' LEU . 59.6 m170 66.9 84.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.83 81.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -86.91 174.29 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.13 171.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.35 118.93 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -127.82 133.59 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -83.71 109.06 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -132.16 153.45 50.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 9' ' ' GLU . 4.1 mtt180 -103.12 169.52 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -75.41 55.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -152.46 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.76 135.42 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 p -95.17 170.68 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' CG2' HD21 ' A' ' 58' ' ' LEU . 3.0 t -40.34 -48.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.41 -55.8 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.9 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.478 HD13 ' CE1' ' A' ' 78' ' ' PHE . 3.3 mt -44.19 -61.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 40' ' ' THR . 14.1 mt -40.65 -44.54 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.33 -55.23 22.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m -56.07 -39.06 71.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 43' ' ' LEU . 31.3 t -70.5 -52.43 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 36' ' ' LEU . 31.2 m -45.14 -25.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.48 -41.52 65.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.2 mmmt -64.43 -36.48 84.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.1 pt -116.08 145.95 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.403 HD21 ' CG2' ' A' ' 32' ' ' VAL . 10.6 tp -88.91 146.77 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -148.19 134.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.63 121.6 39.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.51 138.04 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.79 169.52 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.6 p -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.3 p -91.75 -1.01 57.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.45 17.38 79.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.27 101.43 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -86.73 135.61 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -135.05 94.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.91 110.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD1' ' CD2' ' A' ' 87' ' ' LEU . 32.9 mt -78.97 178.07 8.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -137.68 157.42 73.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.09 12.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.8 p -116.66 45.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -87.18 179.35 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -109.43 -66.61 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.6 m -142.11 102.04 4.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.0 t -84.8 -45.26 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CD2' HD12 ' A' ' 10' ' ' ILE . 10.4 m-30 -45.51 -36.0 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -90.35 -46.92 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.61 -45.02 27.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -39.66 136.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.68 -156.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.67 -51.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -118.09 52.49 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -111.31 149.02 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -127.81 145.45 50.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.463 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 27.9 mt -88.08 142.48 27.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CB ' ' A' ' 15' ' ' TYR . 8.5 m-85 -135.13 124.45 24.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.16 114.62 28.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.485 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 13.9 p -160.97 173.8 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.5 p -69.02 -179.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -40.48 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -10.46 59.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -105.12 -17.83 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.4 t80 -52.79 -43.02 65.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -77.73 -14.43 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.14 3.51 53.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.485 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 73.2 mt -75.09 150.74 38.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 47.0 t -144.21 141.48 18.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 140.51 25.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -53.79 161.34 1.72 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CD ' ' NH1' ' A' ' 27' ' ' ARG . 9.5 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.578 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 3.2 pt -151.04 176.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 36.1 m-85 -111.27 101.29 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 7.8 t -80.65 147.3 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -126.78 128.05 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 45.8 t -111.16 101.38 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.565 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 10.5 m-85 -72.19 149.8 44.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.461 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 28.4 mmt -98.42 166.13 13.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 -12.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.92 16.95 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CD2' HD21 ' A' ' 101' ' ' LEU . 35.5 m170 66.77 79.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.26 103.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -103.61 178.8 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 m -135.88 173.37 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -116.43 119.49 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.95 134.99 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -91.28 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.504 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 46.0 t -132.21 168.38 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 9' ' ' GLU . 6.9 mtm-85 -98.18 150.89 21.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.82 -24.45 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 t -75.68 -34.39 60.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -47.46 138.85 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -99.18 167.11 10.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.461 ' CG2' HD21 ' A' ' 58' ' ' LEU . 2.7 t -40.15 -48.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -49.24 -61.0 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' CD1' ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -40.43 -58.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.95 -46.36 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.97 92.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 m -63.51 -47.92 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 ' CD2' ' A' ' 43' ' ' LEU . 89.0 t -63.59 -52.8 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.7 m -41.87 -37.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.74 -44.22 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.9 mmmt -59.33 -38.28 79.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' CD2' HG13 ' A' ' 39' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 90' ' ' CYS . 4.1 pt -117.17 143.89 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 32' ' ' VAL . 13.0 tp -89.05 149.43 23.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.577 HG22 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -153.98 133.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.14 121.4 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.3 t -117.46 136.47 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 169.36 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.21 69.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.96 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.21 25.84 2.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.45 95.73 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -89.98 134.96 33.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.9 t -130.64 87.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.67 109.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 87' ' ' LEU . 39.3 mt -82.0 -179.15 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -140.66 158.2 66.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.19 12.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.9 p -119.91 48.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -86.39 -175.02 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -121.66 -67.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.4 p -124.52 100.45 6.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.0 t -94.73 -66.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 12.4 m-30 -38.43 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . 2.1 m -89.08 -58.57 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.05 -43.48 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -44.75 132.08 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.79 -164.3 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 mm -82.11 -49.01 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -115.61 55.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -115.83 132.9 56.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.2 m-70 -111.17 140.74 45.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.598 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 70' ' ' LEU . 50.4 mt -88.24 131.28 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' CE2' ' O ' ' A' ' 16' ' ' MET . 12.7 m-85 -117.29 125.14 50.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -110.28 114.12 27.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.451 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 13.9 p -162.88 173.94 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -65.55 -178.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.87 -32.34 51.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -0.88 42.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 m -114.41 -14.43 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.577 ' CD2' HG22 ' A' ' 59' ' ' VAL . 2.9 t80 -48.87 -43.89 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.96 -26.9 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.14 -8.37 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 32.6 mt -73.4 143.64 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 76.1 t -131.16 143.19 48.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.95 129.83 12.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -59.81 162.18 10.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 0.0 110.978 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.582 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -146.94 177.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.43 101.5 8.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -74.03 152.17 40.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.52 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -132.71 113.75 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 39' ' ' VAL . 32.6 t -99.32 100.57 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 20.9 m-85 -75.26 123.74 25.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.477 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.1 mmt -73.38 166.47 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.2 Cg_endo -75.04 -11.3 21.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -106.87 11.79 29.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.566 ' CD2' HD21 ' A' ' 101' ' ' LEU . 61.2 m170 67.28 81.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.01 82.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.52 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 6.2 p90 -86.85 176.83 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.2 m -135.23 173.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.445 ' OG1' ' NH1' ' A' ' 13' ' ' ARG . 2.2 m -111.61 118.64 36.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.76 132.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -91.5 111.4 22.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -132.15 165.8 23.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.76 173.37 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.2 45.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -146.16 -45.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.1 122.63 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -73.36 173.91 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -48.19 -50.86 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 9.1 pt20 -57.16 -46.19 82.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -51.83 -59.15 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.549 HD13 ' CE1' ' A' ' 78' ' ' PHE . 5.6 mt -51.88 -55.27 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.2 mt -40.54 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.11 -44.29 63.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' ILE . 70.9 m -67.44 -46.66 72.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 109.968 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 14' ' ' VAL . 61.0 t -62.46 -58.38 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -38.95 -35.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -50.35 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.07 -38.7 68.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -126.3 149.32 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.8 tp -88.16 149.79 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 95' ' ' TYR . 53.9 t -152.72 146.52 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.36 121.01 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.2 t -116.91 134.46 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -106.6 163.92 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.15 67.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 m -174.2 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.42 38.27 0.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.17 97.6 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -89.41 139.67 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.4 t -134.86 88.82 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.51 111.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.29 175.96 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -130.62 154.85 81.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.2 p -118.66 42.82 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -84.5 -176.24 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -121.21 -64.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 96.2 m -127.4 104.96 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -94.37 -60.34 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 11.4 m-30 -40.69 -28.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -89.01 -48.83 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -45.4 -52.46 10.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.475 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -40.13 136.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.81 -161.51 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.48 -57.52 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -104.38 53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -121.3 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -120.43 146.21 46.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 81' ' ' LEU . 43.2 mt -88.11 144.03 26.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.475 ' CE2' ' O ' ' A' ' 16' ' ' MET . 9.9 m-85 -132.79 120.32 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.45 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -104.72 114.38 28.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.2 p -161.48 174.0 14.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.337 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.73 168.25 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -41.03 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -7.72 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.9 m -107.85 -25.82 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.043 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.546 ' CD2' HG22 ' A' ' 59' ' ' VAL . 4.2 t80 -48.01 -44.09 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -75.72 -20.36 58.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.24 8.48 21.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.487 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 72.2 mt -82.09 146.58 29.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -136.34 142.19 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 132.25 15.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -51.81 164.49 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.8 pt -150.48 176.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 77.3 m-85 -117.0 101.36 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.55 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 1.8 t -80.27 149.5 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 108.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -137.55 126.94 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 55.0 t -101.43 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 15.6 m-85 -75.05 121.78 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 29.2 mmt -72.45 165.86 47.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.0 Cg_endo -75.03 -11.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.426 1.751 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.62 12.83 25.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' CD2' HD23 ' A' ' 101' ' ' LEU . 61.7 m170 67.47 84.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 t -175.61 81.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -89.7 178.67 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.47 173.7 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -112.81 119.85 39.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.02 135.31 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.3 ttm180 -87.8 112.65 22.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -132.22 166.61 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -104.42 173.33 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -91.55 38.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -131.62 -44.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.59 177.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.2 p -126.29 174.26 8.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 t -43.95 -46.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -49.18 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.42 -68.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.504 HD13 ' CZ ' ' A' ' 78' ' ' PHE . 2.3 mp -41.81 -60.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 mt -42.48 -50.72 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.79 48.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -61.12 -53.98 50.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.445 ' CG2' ' CG2' ' A' ' 14' ' ' VAL . 22.2 t -54.63 -58.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.4 m -42.47 -38.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -42.77 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.4 mmmt -61.93 -37.61 85.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.55 146.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.429 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 11.5 tp -88.53 151.81 22.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -154.51 132.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 121.53 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.4 t -115.6 145.01 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -122.35 167.63 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.9 p -68.23 69.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -177.69 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.63 17.91 5.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.01 97.42 8.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 0.787 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -89.81 143.02 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.9 t -136.06 88.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.09 109.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 77' ' ' VAL . 52.8 mt -85.07 176.83 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -141.37 158.36 63.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.3 p -120.27 44.06 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -84.01 -177.51 6.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.168 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -112.46 -65.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.61 104.15 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 70' ' ' LEU . 3.9 t -94.43 -61.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -38.69 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.5 m -87.43 -49.98 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.72 -46.21 40.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.424 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -40.52 123.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.57 -167.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.418 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.9 mt -74.74 -52.64 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.418 ' ND2' HG22 ' A' ' 83' ' ' ILE . 2.9 m120 -112.11 51.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -112.47 138.33 49.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -119.35 145.91 45.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' TYR . 71.6 mt -88.53 137.75 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 16' ' ' MET . 13.0 m-85 -126.97 119.97 27.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.448 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -106.49 114.88 29.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.406 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 13.8 p -159.01 174.21 15.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 108.272 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.5 p -63.52 -169.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -87.22 -27.19 23.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -6.77 58.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 m -105.37 -15.67 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.567 ' CD2' HG23 ' A' ' 59' ' ' VAL . 2.9 t80 -49.77 -41.87 45.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -31.74 59.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.62 -11.22 52.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 58.1 mt -65.71 140.29 58.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 58.1 t -129.46 141.65 42.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.96 130.64 13.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -54.8 164.05 1.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.622 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -147.48 173.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.63 100.71 8.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 152.85 22.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 1.7 mpt_? -136.54 120.0 16.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.465 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 73.5 t -92.04 101.9 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.533 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 15.4 m-85 -71.44 119.29 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.9 mmt -72.93 165.56 51.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.4 Cg_endo -74.99 -11.72 21.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -105.88 10.67 32.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CD2' HD21 ' A' ' 101' ' ' LEU . 59.6 m170 67.67 82.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.625 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 t -176.43 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.504 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 22.9 p90 -86.3 178.53 7.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -139.93 156.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 125.68 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.68 132.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -88.49 107.39 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 10' ' ' ILE . 22.6 t -132.15 160.86 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 149.68 21.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 2.5 mt -58.29 -26.22 62.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -45.32 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.17 163.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.82 169.76 9.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 58' ' ' LEU . 5.0 t -40.19 -47.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -47.99 -62.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.05 -65.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -42.5 -58.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -42.49 -62.61 0.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.96 -42.3 38.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -64.43 -58.04 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 43' ' ' LEU . 32.1 t -52.33 -46.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 m -41.64 -42.55 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.62 -42.22 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.3 mmtt -61.97 -37.93 86.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.3 pt -109.04 146.66 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 9.3 tp -88.55 157.06 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 95' ' ' TYR . 99.4 t -156.94 142.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.44 121.33 44.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.4 t -119.12 130.94 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.3 167.4 9.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.0 p -70.33 69.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.84 -38.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.99 36.38 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -105.02 102.03 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -92.61 135.21 34.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.5 t -130.98 88.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.15 109.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.7 mt -85.39 176.28 8.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -134.48 156.86 78.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -5.93 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.821 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.23 44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -85.47 -175.49 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -117.14 -73.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 82.0 m -116.59 102.22 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' THR . 40.1 t -95.44 -68.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 10.3 m-30 -37.38 -32.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.9 m -87.34 -51.6 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.61 -49.31 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.94 133.44 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.5 -157.94 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mp -81.38 -52.28 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -114.82 56.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.427 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 8.5 m -112.16 142.17 44.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.526 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.5 m-70 -122.09 139.64 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 81' ' ' LEU . 58.2 mt -87.98 127.81 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 65.1 m-85 -119.67 118.66 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -107.75 114.34 28.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.466 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 30.0 p -157.02 173.62 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -62.6 176.24 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.44 59.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.44 -7.09 45.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -108.03 -16.11 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.548 ' CD2' HG22 ' A' ' 59' ' ' VAL . 2.3 t80 -49.15 -41.27 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.69 -19.14 42.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.62 1.15 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.466 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 44.3 mt -78.57 150.67 32.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 76.9 t -139.57 143.67 36.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 126.7 10.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -53.0 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.418 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.0 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -149.39 174.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 52.9 m-85 -117.27 101.32 8.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -76.54 144.19 39.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.7 mpp_? -127.22 119.24 25.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.446 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 79.4 t -97.05 98.8 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.7 m-85 -71.51 127.01 31.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.463 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mmt -78.16 166.21 44.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.01 -11.68 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -107.3 13.46 27.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.562 ' CD2' HD21 ' A' ' 101' ' ' LEU . 53.7 m170 66.91 82.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.45 85.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 33.8 p90 -87.12 178.09 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 m -139.24 163.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -102.26 122.6 44.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.98 137.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -85.71 110.65 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -132.5 161.84 32.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.409 ' HG2' ' CG ' ' A' ' 9' ' ' GLU . 31.1 mtt180 -109.57 172.28 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 mt -87.41 44.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . 94.6 p -139.12 -45.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' SER . . . -50.61 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' VAL . 1.7 p -132.14 171.34 13.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.088 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' SER . 4.5 t -39.87 -51.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -44.6 -62.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.65 -67.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mt -42.26 -61.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.88 -46.57 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.11 -57.17 12.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 m -53.39 -36.71 61.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' LYS . 15.8 t -74.32 -60.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.6 m -38.19 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 30.1 mt-10 -67.21 -49.75 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.0 mmmt -53.37 -36.39 61.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 39' ' ' VAL . 3.5 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.72 146.57 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 13.0 tp -88.5 152.12 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.541 HG21 ' CD2' ' A' ' 95' ' ' TYR . 61.3 t -154.69 134.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.78 120.96 35.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -114.32 137.02 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.402 ' OG ' ' OG ' ' A' ' 85' ' ' SER . 0.1 OUTLIER -117.83 169.41 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -14.39 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -101.59 30.02 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.69 47.11 9.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.39 99.44 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -91.56 131.45 36.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 t -131.35 96.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.67 109.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 87' ' ' LEU . 27.1 mt -84.57 175.15 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -134.43 157.61 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.34 9.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.4 p -122.97 46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -85.53 -176.65 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -117.61 -69.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 64.6 m -120.65 100.84 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.18 -66.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.3 m-30 -38.67 -31.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -86.67 -48.1 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.441 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -44.25 -49.81 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.8 137.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.79 -161.66 5.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.69 -55.37 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.53 56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.402 ' OG ' ' OG ' ' A' ' 62' ' ' SER . 16.8 m -118.4 141.86 48.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -123.27 146.41 47.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 70' ' ' LEU . 44.6 mt -88.82 137.98 31.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.436 ' CE2' ' O ' ' A' ' 16' ' ' MET . 10.0 m-85 -126.84 123.93 38.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.35 114.74 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.1 p -161.44 173.53 14.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.6 p -66.47 -167.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -86.64 -34.72 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -76.83 -7.8 56.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ALA . 34.2 m -107.28 -24.58 11.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.541 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.4 t80 -42.54 -41.53 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -79.58 -31.0 41.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -67.02 -10.79 53.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 62.9 mt -65.03 149.8 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 80.3 t -136.01 142.98 42.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.04 127.85 10.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -52.08 165.03 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 5.2 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.484 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -149.03 161.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -104.09 101.49 11.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -78.02 152.9 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 108.297 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -137.28 119.12 15.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 89' ' ' ALA . 94.0 t -101.69 102.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 27.6 m-85 -72.58 125.46 27.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 31.7 mmt -71.28 163.71 63.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.64 4.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.6 14.91 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.559 ' CD2' HD23 ' A' ' 101' ' ' LEU . 21.9 m170 66.7 81.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.69 81.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -87.19 178.3 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.8 m -138.28 173.8 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -110.27 114.67 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -126.95 134.22 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -88.5 111.71 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.5 t -131.5 159.91 36.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -99.46 174.03 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -89.92 40.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -132.49 -44.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 29' ' ' SER . . . -50.81 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -132.62 175.88 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -43.24 -45.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.21 -61.39 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.79 -67.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 HD13 ' CE1' ' A' ' 78' ' ' PHE . 2.5 mp -42.78 -63.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' ILE . 13.4 mt -40.08 -44.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.59 56.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -60.14 -45.7 92.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 14' ' ' VAL . 54.7 t -63.79 -51.1 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -40.55 -37.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.96 -46.37 81.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.5 mmmt -57.94 -38.67 76.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 43' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 pt -115.12 143.21 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.4 tp -90.08 149.34 22.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.574 HG23 ' CD2' ' A' ' 95' ' ' TYR . 39.3 t -153.25 136.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.57 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -116.93 139.76 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.84 167.79 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 69.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.2 t -176.93 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.26 31.72 1.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -96.71 95.76 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -87.56 145.46 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -141.44 92.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.6 110.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.98 178.6 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 155.18 77.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -7.15 18.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 p -115.21 49.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -87.07 179.25 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.66 -55.43 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.3 m -141.47 104.6 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.84 -58.78 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 9.9 m-30 -41.96 -32.31 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 m -83.66 -59.86 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -43.52 -45.18 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -39.75 131.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.14 -164.28 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 mm -86.23 -45.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.39 45.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 139.6 44.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -114.36 147.02 39.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.543 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' TYR . 41.9 mt -87.55 125.34 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CZ ' ' O ' ' A' ' 99' ' ' VAL . 5.7 m-85 -115.21 130.25 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.47 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . -120.08 113.73 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.436 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 8.2 p -154.99 174.57 14.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 p -64.36 -174.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -84.48 -17.85 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 2.51 44.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.0 m -113.67 -15.47 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.052 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 59' ' ' VAL . 3.3 t80 -48.61 -39.08 22.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.81 -25.29 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.69 -6.8 50.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 47.0 mt -68.35 146.12 53.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -132.92 142.6 45.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.5 Cg_endo -74.97 127.67 10.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -58.58 163.62 4.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mt-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.4 pt -150.96 173.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -114.86 102.73 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 p -102.46 148.82 25.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.41 ' HB3' ' CD1' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -126.22 140.13 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 25.5 t -108.52 102.01 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 45.8 m-85 -68.93 149.76 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.9 mmt -101.19 164.83 15.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.3 Cg_endo -75.03 4.64 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.31 15.67 11.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.464 ' CD2' HD21 ' A' ' 101' ' ' LEU . 15.3 m170 66.92 76.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.09 109.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 6.4 p90 -114.85 172.16 7.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.47 164.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -103.27 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.3 pt -126.62 141.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -99.79 110.35 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -132.02 169.21 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -99.01 173.9 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.3 mt -84.06 48.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -149.42 -45.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' SER . . . -39.87 128.97 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' VAL . 9.5 p -83.79 166.05 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG2' HD23 ' A' ' 58' ' ' LEU . 2.6 t -39.84 -47.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -53.33 -56.52 15.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.14 -60.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LEU . 2.7 mp -49.83 -59.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' ILE . 18.7 mt -39.66 -43.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -49.22 63.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -59.02 -41.81 88.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LYS . 55.3 t -71.66 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' VAL . 18.6 m -37.88 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.07 -50.72 70.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 8.9 mmmt -53.62 -39.93 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pt -124.74 139.72 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD23 ' CG2' ' A' ' 32' ' ' VAL . 13.4 tp -89.94 150.89 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 95' ' ' TYR . 38.4 t -150.18 143.93 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.34 120.42 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.3 t -115.92 127.41 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 p -100.55 177.18 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.7 p -67.74 -9.34 43.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 t -100.45 1.13 40.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.65 32.62 57.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -88.24 99.9 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -86.4 135.84 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.57 99.39 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 110.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.37 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.24 176.38 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -131.44 154.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 p -118.72 42.16 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.78 -177.39 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.83 -73.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 97.5 m -102.42 93.5 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.0 t -95.34 -66.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.436 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.2 m-30 -46.22 -24.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -90.48 -53.76 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -46.38 -50.81 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -39.46 140.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.63 -163.81 3.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.65 -58.0 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.6 54.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -115.84 126.46 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.964 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -104.9 140.14 38.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 53.4 mt -87.95 133.85 33.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -122.71 118.01 27.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -112.59 113.71 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.516 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 9.9 p -160.53 176.6 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 p -61.04 161.2 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -69.52 -12.12 61.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.4 -3.67 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.452 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.1 m -117.09 -8.51 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.569 ' CD2' HG22 ' A' ' 59' ' ' VAL . 3.2 t80 -55.93 -38.37 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -6.43 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.59 13.87 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 20.3 mt -84.81 143.29 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 43.0 t -130.7 141.06 40.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.95 129.26 12.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -58.02 162.17 5.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.521 1.8 . . . . 0.0 111.023 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -151.72 170.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 31.8 m-85 -111.82 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 42.6 t -73.23 145.12 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -124.27 119.32 28.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 39' ' ' VAL . 55.7 t -102.47 98.71 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 22.2 m-85 -70.81 139.98 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 25.9 mmt -89.19 166.02 23.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.97 -11.71 21.56 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.72 15.89 25.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.562 ' CD2' HD22 ' A' ' 101' ' ' LEU . 40.6 m170 66.66 78.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.8 t -175.78 96.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 17.4 p90 -95.2 178.32 5.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.06 169.63 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -110.06 123.84 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.21 127.72 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -81.5 112.06 18.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -132.2 169.14 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 3.2 ttm180 -102.7 178.11 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt -91.16 38.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.13 -45.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.93 146.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -100.13 173.79 6.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 t -46.86 -48.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.17 -57.93 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.15 -62.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 78' ' ' PHE . 4.8 mt -47.93 -57.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.4 -44.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.89 54.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -59.36 -55.57 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 40' ' ' THR . 63.2 t -48.55 -57.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 39' ' ' VAL . 11.1 m -32.8 -54.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -57.93 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -46.12 -42.03 13.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 69' ' ' LEU . 7.6 pt -112.21 146.67 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 9.0 tp -88.44 153.05 21.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 95' ' ' TYR . 60.2 t -154.97 137.12 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.68 121.25 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.02 136.41 53.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.71 169.9 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t -62.2 -13.59 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.38 27.32 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.78 47.03 13.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.97 96.31 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -87.19 137.62 32.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.84 98.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 57' ' ' ILE . 0.8 OUTLIER -61.3 104.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -75.67 177.62 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -128.87 154.86 80.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -4.12 14.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 p -114.2 45.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.16 -178.66 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -126.06 -55.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.9 m -126.56 97.55 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 79' ' ' THR . 26.9 t -95.15 -63.62 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 12' ' ' CYS . 10.2 m-30 -41.24 -27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 77' ' ' VAL . 2.4 m -87.36 -43.95 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -52.09 -41.27 62.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -40.26 124.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.88 -166.98 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -74.32 -50.09 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -120.96 49.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 m -108.15 148.01 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.8 m-70 -124.88 144.58 50.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 mt -88.03 128.31 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CE2' ' O ' ' A' ' 16' ' ' MET . 9.3 m-85 -117.68 125.43 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -108.8 114.76 28.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.1 p -161.99 172.93 15.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 p -73.2 179.52 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -72.2 -23.02 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -8.07 56.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' ALA . 6.3 m -108.28 -23.99 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.56 ' CD2' HG23 ' A' ' 59' ' ' VAL . 2.8 t80 -44.89 -42.82 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.35 -23.82 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 61.3 mt -73.91 148.32 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 95.9 t -134.63 142.51 42.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.484 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.0 130.35 13.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -57.94 163.65 4.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -146.07 177.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.6 m-85 -111.24 101.43 9.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.7 t -83.49 152.56 24.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.71 125.72 30.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 89' ' ' ALA . 76.7 t -100.17 104.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 20.2 m-85 -72.82 150.19 42.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.443 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 30.1 mmt -103.91 165.6 13.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.455 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.11 15.12 28.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CD2' HD21 ' A' ' 101' ' ' LEU . 34.0 m170 66.49 81.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.07 109.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -110.07 176.71 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -133.16 169.08 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 m -109.69 125.36 52.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.72 136.74 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -87.2 113.26 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.3 t -131.75 167.74 18.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 30' ' ' ALA . 75.4 mtm180 -114.15 144.13 43.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mt -49.85 -25.88 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -70.58 -34.15 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 27' ' ' ARG . . . -58.18 172.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 p -131.72 172.61 12.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 t -43.6 -46.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -49.19 -53.34 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -50.97 -66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -43.21 -58.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 mt -46.73 -63.71 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.95 -48.75 9.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -61.87 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG2' ' CG2' ' A' ' 14' ' ' VAL . 42.0 t -43.45 -52.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' VAL . 54.2 m -37.72 -41.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.05 -50.74 72.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 11.0 mmmt -53.33 -39.91 64.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.452 HD21 ' CG1' ' A' ' 39' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -122.85 138.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 tp -89.75 150.21 22.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.557 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -149.41 131.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.46 121.53 36.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.4 t -115.35 130.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.2 t -114.77 165.94 12.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -24.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 28.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 41.04 31.65 0.5 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -84.43 97.94 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -83.56 135.66 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -134.08 99.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.641 ' CD1' ' CE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -62.21 99.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.8 mt -74.04 174.24 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -135.98 158.62 73.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.02 9.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.43 1.753 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.1 p -119.72 45.41 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -87.9 -179.99 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -108.99 -70.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.0 m -131.91 100.53 5.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 108.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 79' ' ' THR . 21.5 t -88.23 -56.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 12' ' ' CYS . 10.8 m-30 -42.89 -27.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . 5.7 m -89.98 -57.29 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.91 -47.3 5.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.15 129.95 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.54 -159.05 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -92.05 -37.11 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -117.63 48.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 70.2 m -118.04 150.52 39.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 4.5 m-70 -132.28 145.8 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.643 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' TYR . 62.2 mt -88.39 122.13 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 59' ' ' VAL . 12.8 m-85 -114.84 122.69 47.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.467 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -112.19 115.83 29.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.436 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 15.0 p -161.68 173.89 14.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.5 p -69.08 169.73 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -68.61 -18.51 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.64 -5.32 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 m -117.81 -5.56 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.641 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 2.1 t80 -58.75 -40.93 85.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -12.22 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.16 7.78 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 49.4 mt -82.91 138.9 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 41.4 t -126.06 141.33 39.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.02 133.22 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -63.24 162.08 27.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.552 HD12 ' CD2' ' A' ' 78' ' ' PHE . 3.1 pt -146.65 176.96 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 20.5 m-85 -116.34 101.72 8.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.0 t -78.96 151.11 31.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -137.39 119.11 15.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 39' ' ' VAL . 76.7 t -99.03 104.57 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 16.5 m-85 -75.14 122.8 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.461 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.0 mmt -73.68 166.01 47.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.02 -11.58 21.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.83 12.64 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' CD2' HD22 ' A' ' 101' ' ' LEU . 31.5 m170 66.68 81.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.12 87.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -91.19 178.8 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.88 172.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -110.18 119.47 39.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.12 141.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -91.16 111.71 23.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 t -132.17 154.24 49.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.75 175.53 6.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.78 38.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -136.55 -45.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.92 167.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -118.1 170.76 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' HD21 ' A' ' 58' ' ' LEU . 2.5 t -42.86 -48.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -47.13 -54.93 9.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -47.38 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' ASP . 2.4 mp -40.01 -55.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.49 -51.95 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.79 17.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -54.76 -51.0 67.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 14' ' ' VAL . 37.0 t -58.74 -56.44 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 m -44.36 -40.58 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.68 -37.33 81.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.6 mmmt -66.88 -36.66 82.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 pt -112.81 143.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 13.8 tp -88.9 153.06 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -154.33 136.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.74 121.29 38.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.37 129.39 71.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -109.93 167.38 10.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 t -66.89 69.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.6 OUTLIER -177.29 -36.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.021 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.74 13.49 6.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 95.98 4.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -90.39 133.95 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 t -129.43 90.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.25 110.81 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.4 mt -81.28 177.32 9.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -137.74 157.57 73.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -4.24 15.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -118.53 47.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.6 -179.34 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.97 -73.1 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.9 p -120.45 101.29 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.1 t -94.73 -66.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CD2' HD12 ' A' ' 10' ' ' ILE . 9.9 m-30 -39.17 -37.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 111.049 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 80' ' ' ALA . 2.4 m -80.54 -52.74 7.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 79' ' ' THR . . . -39.66 -55.49 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -45.11 133.56 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.32 -136.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -105.73 -50.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -101.3 63.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -136.03 130.84 34.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.4 m-70 -113.82 139.52 49.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' TYR . 79.8 mt -87.92 139.54 30.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 16' ' ' MET . 13.2 m-85 -127.75 123.87 36.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . -112.27 114.14 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.435 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 15.5 p -161.14 174.03 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.8 p -60.97 -171.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -27.15 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -12.79 57.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' ALA . 3.4 m -100.47 -21.91 15.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.558 ' CD2' HG23 ' A' ' 59' ' ' VAL . 2.8 t80 -45.19 -40.89 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.15 -25.03 40.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -73.76 -4.48 34.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 30.7 mt -74.12 145.71 44.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 93.9 t -135.15 142.29 41.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 128.22 11.3 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.533 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -56.77 162.57 3.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.965 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' ARG . 4.0 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 2.0 pt -148.46 176.35 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -120.67 101.59 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.71 153.42 27.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.27 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -137.32 124.63 21.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.459 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 89.0 t -98.2 100.03 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.5 m-85 -71.32 123.39 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.475 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.2 mmt -75.46 165.84 50.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.4 Cg_endo -74.97 -11.52 21.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 13.58 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CD2' HD23 ' A' ' 101' ' ' LEU . 53.7 m170 66.7 82.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -175.58 85.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -90.08 178.68 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 171.64 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.14 122.65 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -132.75 129.43 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -85.19 110.37 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -132.22 164.12 27.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.464 ' CG ' ' HG3' ' A' ' 9' ' ' GLU . 22.9 mtp180 -105.17 166.76 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -84.46 48.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.19 -178.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 p -130.11 171.94 12.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' HD22 ' A' ' 58' ' ' LEU . 3.1 t -41.35 -49.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -46.77 -56.85 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -47.96 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -42.8 -54.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.73 -50.61 32.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.48 -46.64 93.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -61.74 -50.4 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 42' ' ' LYS . 69.9 t -63.43 -59.01 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 30.9 m -38.23 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.84 -50.21 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.1 mmmt -53.01 -36.8 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' CD2' HG13 ' A' ' 39' ' ' VAL . 3.2 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -120.6 146.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 32' ' ' VAL . 15.9 tp -89.17 152.33 21.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 95' ' ' TYR . 25.5 t -152.57 145.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.38 120.99 43.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.8 t -115.51 132.65 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -110.01 166.52 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.85 69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -177.15 -36.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.59 28.91 2.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.12 95.93 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -88.75 142.72 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.79 99.17 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.5 107.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' CD1' HG11 ' A' ' 77' ' ' VAL . 37.1 mt -80.26 175.95 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -134.66 157.17 77.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.6 p -122.67 48.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -85.13 -178.48 6.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -114.28 -64.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 67.9 m -132.15 102.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.406 HG11 ' CD1' ' A' ' 70' ' ' LEU . 32.7 t -94.05 -62.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.558 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 10.2 m-30 -40.95 -30.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 m -90.39 -50.58 5.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -43.71 -52.38 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.47 140.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.63 1.48 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.426 HG23 ' ND2' ' A' ' 84' ' ' ASN . 3.4 mt -77.61 -53.02 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.426 ' ND2' HG23 ' A' ' 83' ' ' ILE . 3.3 m120 -112.39 51.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m -106.96 147.01 30.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -125.34 142.96 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD2' HD23 ' A' ' 81' ' ' LEU . 46.9 mt -89.45 138.75 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.43 ' CE2' ' O ' ' A' ' 16' ' ' MET . 12.1 m-85 -128.88 119.68 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.459 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -108.95 115.96 31.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.4 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 17.0 p -157.68 173.92 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 108.337 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -67.85 168.06 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -13.55 62.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.55 -10.11 25.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m -105.84 -14.49 15.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.572 ' CD2' HG22 ' A' ' 59' ' ' VAL . 4.2 t80 -55.82 -36.23 67.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.65 -8.02 59.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.16 16.01 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 32.8 mt -89.43 149.38 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 77.9 t -137.83 142.86 37.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 139.65 24.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -64.35 162.83 29.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.711 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.6 pt -145.37 175.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 88.7 m-85 -116.54 101.07 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -98.62 157.07 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.319 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -134.47 158.63 43.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 76.6 t -132.25 99.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.635 ' CD1' ' CB ' ' A' ' 21' ' ' TYR . 4.3 m-85 -67.6 157.75 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.9 mmt -106.16 166.52 11.09 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.96 -11.33 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.08 15.83 26.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.5 m170 66.88 80.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.01 103.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 15' ' ' TYR . 15.1 p90 -110.76 171.63 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 22.4 m -136.98 168.41 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.86 130.27 55.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pt -135.76 143.97 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.2 ttt180 -98.03 114.03 26.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -132.15 169.05 16.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.98 147.09 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.38 -16.6 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -100.45 29.59 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.69 -179.35 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' VAL . 11.3 m -133.15 158.54 42.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 58' ' ' LEU . 2.7 t -39.67 -47.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -50.78 -60.4 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -42.73 -63.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' LEU . 3.0 mt -48.53 -59.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' ILE . 12.3 mt -39.84 -67.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.78 -50.1 5.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -60.16 -37.17 79.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.043 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 43' ' ' LEU . 71.9 t -72.49 -54.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -41.92 -35.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -45.19 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.3 mmmt -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.2 mm? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -106.4 148.98 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 32' ' ' VAL . 6.8 tp -88.82 149.31 23.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.568 HG21 ' CD2' ' A' ' 95' ' ' TYR . 48.0 t -152.61 137.84 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.7 121.22 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.3 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' SER . 1.8 m -108.93 169.1 8.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 68.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.6 t -174.82 -38.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.92 3.71 8.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.66 97.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -90.92 143.24 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 t -138.88 99.64 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 111.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -85.0 178.69 7.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -134.19 154.44 80.05 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.39 9.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -118.41 43.98 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.04 -178.29 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -127.64 -69.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.5 m -111.86 94.36 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 79' ' ' THR . 21.7 t -95.09 -62.86 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.711 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 11.6 m-30 -42.63 -27.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' VAL . 1.9 m -85.13 -57.91 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.46 5.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.21 130.68 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.08 -145.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.59 -52.67 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -101.06 61.49 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -123.66 133.6 53.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -114.34 133.22 55.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' TYR . 54.6 mt -88.23 110.19 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.469 ' CZ ' ' O ' ' A' ' 99' ' ' VAL . 13.8 m-85 -98.86 124.05 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.05 115.3 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 13.9 p -161.91 173.81 13.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 71.9 p -67.51 -177.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.83 51.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -10.65 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 97' ' ' ALA . 18.2 m -106.63 -18.93 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.955 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.568 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.5 t80 -47.24 -41.56 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.76 -21.6 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.75 -1.9 30.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.5 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 32.7 mt -75.13 144.8 42.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.469 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 85.2 t -130.8 141.82 43.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 134.79 18.22 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -65.02 161.88 43.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.491 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.9 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.615 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 4.6 pt -150.89 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -114.33 101.65 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.16 149.67 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -136.76 119.78 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.453 HG11 ' CE ' ' A' ' 16' ' ' MET . 81.0 t -97.42 101.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 41.1 m-85 -75.29 119.31 19.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.47 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 35.5 mmt -70.17 164.02 56.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.4 Cg_endo -74.99 5.18 4.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.31 11.34 9.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.426 ' NE2' HD23 ' A' ' 101' ' ' LEU . 51.1 m170 66.75 83.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 t -175.76 77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -86.95 177.6 7.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.07 173.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -111.52 122.53 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.05 128.92 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -87.34 109.82 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 47.0 t -132.17 169.26 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -101.04 160.48 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ALA . 8.1 t -67.34 -43.43 81.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -39.98 129.14 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 p -92.66 162.62 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 t -39.99 -43.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -54.87 -52.67 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.34 -70.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 2.5 mp -42.06 -55.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.0 mt -45.37 -45.26 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.43 -47.99 66.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.55 -43.0 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.016 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.7 t -69.93 -51.54 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 m -45.75 -24.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.57 64.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' VAL . 10.8 mmmt -69.1 -36.96 78.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 39' ' ' VAL . 3.6 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pt -113.42 142.62 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.445 ' CD2' HD12 ' A' ' 70' ' ' LEU . 7.8 tp -89.27 153.08 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.561 HG23 ' CD2' ' A' ' 95' ' ' TYR . 58.7 t -154.72 130.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.88 121.51 36.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.86 138.38 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -117.72 170.37 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 p -56.15 -19.85 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.8 p -92.31 11.65 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.06 64.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.22 99.88 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -85.05 141.05 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.18 96.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 109.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 58' ' ' LEU . 21.7 mt -82.55 175.23 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -135.99 156.86 76.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.56 18.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 p -114.41 44.38 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -84.98 -179.72 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -120.1 -69.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -119.3 97.97 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 108.328 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' A' ' 79' ' ' THR . 40.5 t -94.83 -64.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 10.0 m-30 -39.96 -28.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 77' ' ' VAL . 3.2 m -87.3 -55.85 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' THR . . . -39.62 -45.22 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.98 143.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -160.34 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.93 -47.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -122.62 50.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -105.47 142.69 34.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -121.44 143.85 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.576 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 81' ' ' LEU . 91.7 mt -88.2 147.91 24.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 8.6 m-85 -137.19 127.25 25.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.5 113.41 20.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.522 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 23.8 p -162.8 176.64 10.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.264 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.3 p -57.06 162.65 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -65.35 -39.93 92.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -9.44 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 29.4 m -100.97 -9.99 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.069 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CD2' HG23 ' A' ' 59' ' ' VAL . 4.2 t80 -60.18 -38.11 82.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -82.39 -6.22 59.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.6 5.1 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.439 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 63.3 mt -73.32 133.39 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 61.9 t -123.79 138.99 31.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 131.88 14.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -57.76 163.31 4.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 2.1 pt -150.93 164.4 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.35 101.63 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 133.44 36.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.47 121.52 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 53.0 t -97.2 100.15 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.4 m-85 -68.99 154.25 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.448 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.6 mmt -107.8 164.26 15.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.2 Cg_endo -75.01 4.96 4.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.49 13.52 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.401 ' CD2' HD22 ' A' ' 101' ' ' LEU . 23.1 m170 66.64 76.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.622 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -176.4 102.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -99.98 178.59 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.5 m -134.46 173.44 14.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -117.3 118.61 32.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.6 pt -125.08 -177.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -136.72 111.53 8.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -132.01 169.37 16.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -95.23 149.82 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.08 -16.96 49.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.27 25.75 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.47 178.23 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -127.05 162.56 25.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 58' ' ' LEU . 3.0 t -43.54 -47.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -48.77 -61.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.12 -57.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 78' ' ' PHE . 3.4 mt -53.7 -60.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.3 mt -41.13 -60.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.75 -43.48 22.6 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -66.71 -50.7 61.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.96 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 42' ' ' LYS . 85.2 t -59.62 -57.68 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' VAL . 5.6 m -36.02 -38.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.33 -49.99 73.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 39' ' ' VAL . 17.0 mmmt -52.22 -40.01 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD21 ' O ' ' A' ' 39' ' ' VAL . 3.2 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -118.0 139.45 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 32' ' ' VAL . 12.1 tp -89.14 154.93 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 95' ' ' TYR . 65.4 t -155.23 132.6 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.71 121.47 37.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.6 t -118.24 134.46 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 165.54 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.28 66.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -173.4 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.13 39.69 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.86 96.42 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -88.63 138.13 31.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.5 t -133.85 89.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.88 112.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.4 mt -88.08 177.79 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.22 155.92 79.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.24 9.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.443 1.76 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 p -118.83 43.35 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.16 -177.7 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.71 -72.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.8 m -105.45 94.39 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.04 -69.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 9.9 m-30 -45.77 -24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -89.17 -53.6 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.36 -49.51 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.24 132.53 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.33 -153.56 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.3 mt -91.73 -57.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.425 ' H ' ' ND2' ' A' ' 84' ' ' ASN . 2.0 p30 -98.14 61.15 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.9 m -130.51 122.7 28.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.9 m-70 -103.42 138.11 40.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.564 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' TYR . 29.2 mt -88.13 126.09 34.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.36 119.32 36.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.13 113.72 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.532 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 12.4 p -162.71 176.56 10.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.4 p -56.29 175.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -32.96 48.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -0.38 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.43 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 9.4 m -115.07 -1.87 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -64.31 -37.73 88.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.2 -13.46 59.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.54 -3.98 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.32 135.57 50.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 94.1 t -129.97 142.49 45.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.08 129.11 11.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -58.88 162.02 7.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.69 154.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 p -98.48 -57.77 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.37 -171.12 33.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -134.73 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.78 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.67 -60.41 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.29 100.99 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.566 1.166 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.21 -9.08 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -47.95 150.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -144.78 175.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.69 101.44 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.5 t -78.22 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -134.02 123.01 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 49.4 t -99.68 101.7 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 48.0 m-85 -69.51 127.14 31.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.1 mmt -80.1 165.18 48.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -13.19 21.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.43 13.4 31.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.566 ' CD2' HD22 ' A' ' 101' ' ' LEU . 47.5 m170 66.49 79.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.87 87.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.014 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -86.38 178.78 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.63 169.88 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -112.13 110.18 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.89 136.77 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -91.21 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -131.97 168.29 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.94 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.7 26.51 2.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -143.23 18.44 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.8 -163.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 p -146.64 165.4 29.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.3 -48.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 16.4 pt20 -59.51 -48.57 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 15.2 t0 -51.26 -60.65 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.476 HD13 ' CE1' ' A' ' 78' ' ' PHE . 5.5 mt -50.09 -58.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ILE . 28.0 mt -39.98 -59.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.73 -45.63 24.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 m -64.0 -60.95 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 43' ' ' LEU . 78.6 t -51.52 -50.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.6 m -43.56 -39.51 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -39.78 95.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.23 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mmtt -63.72 -36.96 85.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 39' ' ' VAL . 4.1 mm? -57.82 140.11 52.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.67 94.91 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 43' ' ' LEU . 27.5 m-85 -142.38 -50.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.96 -174.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -101.19 47.66 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.4 160.04 68.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 1.51 7.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.56 69.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.1 53.29 4.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 59.74 119.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 110.339 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -139.39 154.15 47.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -110.84 58.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 m 57.65 106.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -115.42 122.92 47.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.8 pt -113.88 143.78 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 11.8 tp -88.58 153.39 21.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 95' ' ' TYR . 57.7 t -155.32 135.51 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.64 121.07 35.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 84.4 t -118.67 130.35 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -111.3 168.24 9.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -66.94 70.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.1 t -176.08 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.63 13.0 7.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.82 95.95 5.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -89.55 140.31 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.77 91.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.73 111.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.08 -179.45 7.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -131.77 155.84 80.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.01 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -115.71 46.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -87.62 -175.39 5.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -133.12 -72.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.9 m -108.07 97.92 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.02 -70.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.8 m-30 -38.64 -31.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -85.35 -49.15 8.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.18 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 82' ' ' GLY . 0.2 OUTLIER -52.04 124.57 13.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.49 ' N ' ' HG ' ' A' ' 85' ' ' SER . . . -59.75 -141.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.76 -57.27 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.01 52.38 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.49 ' HG ' ' N ' ' A' ' 82' ' ' GLY . 31.9 p -124.94 148.98 48.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -137.38 138.69 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' TYR . 48.3 mt -88.0 135.75 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 16' ' ' MET . 9.0 m-85 -126.56 124.78 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -111.29 114.16 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.482 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.3 p -160.85 173.99 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.8 p -61.5 -175.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -32.42 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.48 -11.66 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 m -98.52 -21.46 16.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.3 t80 -45.17 -41.55 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -75.62 -38.9 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.482 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 60.8 mt -59.19 143.48 48.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 80.5 t -132.86 142.66 45.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -53.79 163.32 1.14 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -141.44 80.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -128.91 -173.93 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 3.5 mp -93.45 38.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -111.04 -166.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.2 m -51.65 114.85 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.08 168.11 13.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -68.13 -68.2 1.73 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 t70 72.87 162.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 0.801 . . . . 0.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 38.7 p 43.85 49.56 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.438 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.33 -21.49 19.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 pt 40.78 66.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 142.75 177.42 17.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 58.13 4.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.8 p -121.92 83.31 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.59 102.88 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -160.13 101.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.62 163.98 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.62 -131.01 10.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m 62.46 138.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p 45.02 91.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.97 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.41 -176.22 31.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 50.2 m-20 -127.83 84.84 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 -65.63 147.41 53.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.597 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -149.26 177.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -115.83 101.19 8.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t -78.02 142.26 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' CG ' ' CE2' ' A' ' 21' ' ' TYR . 1.3 mpt_? -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG23 ' CG2' ' A' ' 39' ' ' VAL . 12.7 t -90.21 100.76 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 9.6 m-85 -70.24 127.1 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -76.43 165.26 54.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.1 Cg_endo -74.99 3.88 5.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.565 1.824 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -122.23 13.06 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.419 ' NE2' HD23 ' A' ' 101' ' ' LEU . 50.0 m170 66.15 70.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -169.01 87.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' ' CG ' ' A' ' 13' ' ' ARG . 8.8 p90 -86.29 178.99 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.07 158.08 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -96.8 124.95 40.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 pt -128.39 -179.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -135.9 108.27 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -132.21 168.43 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -90.78 157.11 17.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 8' ' ' ASP . 4.9 mt -68.0 -23.84 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 23.63 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 -178.51 6.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 p -128.04 167.66 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.6 t -48.85 -48.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -49.49 -60.27 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -40.29 -57.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 HD11 ' CE1' ' A' ' 78' ' ' PHE . 4.2 mt -53.66 -59.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' A' ' 32' ' ' VAL . 20.9 mt -45.8 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.09 -45.43 7.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.7 m -67.17 -68.11 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.943 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 14' ' ' VAL . 40.7 t -41.35 -45.73 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -43.72 -41.59 4.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 2.7 mm-40 -60.43 -39.21 86.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' VAL . 25.7 mmmt -64.74 -37.04 86.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CD2' HG11 ' A' ' 39' ' ' VAL . 4.0 mm? -58.28 -177.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 5.6 mm-40 -83.68 104.72 14.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 47.3 m-85 -163.28 142.16 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.1 -63.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -150.44 44.87 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' GLU . 7.9 pt-20 41.83 96.79 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.01 1.45 7.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 49' ' ' PRO . . . 81.08 -177.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.15 -46.17 1.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 163.03 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.78 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.82 -4.21 58.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.32 -61.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 69.8 106.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt -120.51 141.74 49.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 pt -120.57 147.04 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.444 ' CD2' HG22 ' A' ' 32' ' ' VAL . 14.0 tp -89.82 149.25 22.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.572 HG23 ' CD2' ' A' ' 95' ' ' TYR . 39.4 t -151.16 132.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.75 121.26 38.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.9 t -115.96 135.93 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.409 ' OG ' ' OG ' ' A' ' 85' ' ' SER . 0.6 OUTLIER -105.89 167.15 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.046 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m -70.98 66.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -173.43 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.61 39.87 0.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -107.31 96.77 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -87.11 143.98 27.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.3 t -140.0 90.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.36 110.36 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.4 mt -82.43 176.38 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.53 153.25 77.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 p -116.67 40.39 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.54 -176.1 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 13.2 t0 -132.79 -71.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 94.6 m -106.86 96.82 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 108.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' THR . 37.6 t -95.24 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.597 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 8.0 m-30 -38.18 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.1 m -84.3 -52.12 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -50.31 -45.02 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -39.56 143.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.05 -166.49 17.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.56 -50.38 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.8 57.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.409 ' OG ' ' OG ' ' A' ' 62' ' ' SER . 56.7 m -121.65 130.27 53.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -109.09 143.35 38.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.574 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' TYR . 36.7 mt -87.71 120.57 29.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 10.7 m-85 -112.74 125.24 54.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.97 114.01 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.491 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 8.1 p -157.12 176.23 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.6 p -65.51 154.87 37.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -31.68 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -0.84 33.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.433 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 7.8 m -119.48 -5.83 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.572 ' CD2' HG23 ' A' ' 59' ' ' VAL . 2.4 t80 -59.97 -40.26 88.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.36 -12.86 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.59 -3.94 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 51.9 mt -69.51 146.92 51.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 60.5 t -138.95 143.48 37.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.97 133.69 16.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -56.22 161.99 3.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 46.9 mt-10 -142.98 103.29 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 103' ' ' GLU . 29.4 mt-10 -160.75 -174.03 4.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.469 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 43.0 mm -104.86 42.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -144.98 112.32 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 63.4 t 60.84 40.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 p -120.59 152.07 55.02 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.95 10.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.38 94.32 0.23 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.32 124.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.8 t -146.98 115.44 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.81 170.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.8 mt 68.7 -81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.4 t -58.53 156.19 10.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.8 -86.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.118 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.41 26.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 149.32 46.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.6 p -109.07 -58.56 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 m 43.68 88.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -108.27 -63.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.63 164.51 8.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.48 145.63 54.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -121.87 131.97 54.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.966 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.94 169.83 24.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -129.03 86.28 2.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.17 148.62 49.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.619 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 5.3 pt -145.68 176.57 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 63.4 m-85 -111.89 101.42 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.8 t -83.66 150.11 26.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -136.76 114.51 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' CG2' ' A' ' 39' ' ' VAL . 98.1 t -89.47 106.15 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 17.9 m-85 -73.25 120.64 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.5 mmt -73.08 166.42 43.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.3 Cg_endo -74.99 -11.24 21.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -106.02 10.57 32.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.578 ' CD2' HD23 ' A' ' 101' ' ' LEU . 62.5 m170 67.59 82.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.94 85.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 32.4 p90 -87.0 178.73 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.01 172.86 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -111.03 111.1 21.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.51 138.76 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.2 ttm180 -96.57 116.59 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -132.2 167.73 19.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.56 144.89 24.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.29 -16.49 46.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.84 27.46 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.88 174.9 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.3 m -120.04 172.8 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.57 -50.22 41.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -48.78 -60.56 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.14 -59.27 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' CE1' ' A' ' 78' ' ' PHE . 5.2 mt -49.8 -60.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ILE . 21.2 mt -39.98 -56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.01 -44.47 25.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 m -69.29 -50.2 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' HG23 ' A' ' 14' ' ' VAL . 46.0 t -56.55 -53.68 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.522 HG22 ' CE1' ' A' ' 45' ' ' TYR . 40.5 m -33.51 -55.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.84 -53.0 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' VAL . 11.6 mptt -50.5 -41.05 52.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 39' ' ' VAL . 2.8 mm? -67.7 -171.59 0.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -147.46 101.18 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CE1' HG22 ' A' ' 40' ' ' THR . 1.7 p90 -115.6 103.38 10.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 m -163.13 50.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -137.74 23.96 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -126.79 166.38 22.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 0.89 8.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 70.45 146.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.61 -43.87 2.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -56.76 -56.99 14.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 69.8 171.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.94 -46.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m 65.1 124.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt -108.12 157.54 18.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.6 pt -116.8 143.0 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tp -88.94 146.06 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.553 HG22 ' CD2' ' A' ' 95' ' ' TYR . 47.1 t -146.67 139.72 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.85 121.06 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.4 t -115.26 135.3 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.71 165.92 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.46 67.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.41 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.81 35.5 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.49 95.89 7.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.767 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -88.73 138.92 30.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 t -137.83 88.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.51 110.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.6 mt -79.82 -179.86 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -134.72 154.68 79.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.07 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p -117.5 43.05 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -85.37 -175.3 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -130.6 -70.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.7 m -112.19 97.38 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.86 -64.75 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.619 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 9.8 m-30 -42.01 -28.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 m -90.39 -51.23 5.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.43 -44.81 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -43.48 140.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.74 -153.76 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.54 -56.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -109.93 45.97 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -105.99 128.15 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -108.85 146.74 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' TYR . 12.6 mt -88.15 137.92 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 59' ' ' VAL . 11.3 m-85 -129.02 121.96 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.13 114.69 28.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.415 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.6 p -159.27 173.88 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.7 p -67.78 177.09 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -77.67 -15.58 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -9.37 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ALA . 1.3 m -110.75 -19.88 12.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.553 ' CD2' HG22 ' A' ' 59' ' ' VAL . 3.1 t80 -43.57 -44.68 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.31 -28.33 56.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -70.53 -7.71 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 53.5 mt -68.12 150.48 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 79.2 t -139.46 143.57 36.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.492 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.578 HD23 ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -51.1 163.48 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -150.27 87.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -128.93 -172.33 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -108.32 51.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 176.57 46.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 108' ' ' SER . 7.2 p -167.41 134.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 107' ' ' VAL . 1.3 m 83.39 158.32 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 87.9 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.799 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.89 -164.53 30.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -158.55 -60.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.5 p -54.56 122.64 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -174.11 167.33 4.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.6 mt -113.43 -64.34 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t 179.78 172.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -129.84 156.7 21.55 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -74.98 56.24 4.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' PRO . 38.0 t 39.42 69.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.021 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.8 m 47.05 86.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -172.86 -58.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 110.048 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.94 -56.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.996 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.96 -123.84 1.93 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.0 97.68 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 63.25 153.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.04 129.0 1.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -141.23 77.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -82.92 149.07 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.1 pt -147.55 176.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -117.46 101.3 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.503 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 2.0 t -79.77 146.43 32.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -136.39 119.27 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' CG2' HG21 ' A' ' 39' ' ' VAL . 47.3 t -95.59 106.11 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 30.0 m-85 -75.78 122.16 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 34.7 mmt -72.96 164.28 62.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.2 Cg_endo -74.95 4.49 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.84 11.43 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.572 ' CD2' HD21 ' A' ' 101' ' ' LEU . 58.8 m170 66.91 82.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -175.97 80.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -86.92 178.31 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.03 168.82 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.61 116.96 32.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.68 135.86 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.88 110.95 20.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -131.9 164.41 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -103.43 173.0 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -90.66 39.99 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' ALA . 45.0 m -134.54 -44.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 29' ' ' SER . . . -49.15 176.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.42 178.34 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 t -50.04 -56.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 20.2 pt20 -42.01 -47.25 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -54.78 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -47.68 -54.41 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -44.78 -53.64 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.3 -50.46 66.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -58.08 -52.75 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' CD2' ' A' ' 43' ' ' LEU . 48.2 t -59.86 -50.49 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 m -47.35 -27.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -35.52 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.2 mmmt -70.52 -34.95 72.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 39' ' ' VAL . 4.3 mm? -51.07 144.15 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -45.45 -25.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 43' ' ' LEU . 14.7 m-85 -48.5 105.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -154.74 -68.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.82 55.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.83 165.85 33.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.98 8.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.11 171.11 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.42 -50.55 0.82 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -56.3 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 62.92 153.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.3 -45.26 85.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 p 168.69 135.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.74 153.02 23.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 92' ' ' ARG . 1.3 pt -133.91 139.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.444 ' CD1' ' HB1' ' A' ' 89' ' ' ALA . 9.3 tp -88.58 143.81 26.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.434 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -144.3 135.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 121.39 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t -115.39 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.7 t -107.68 164.16 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -22.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 27.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 44.52 40.87 6.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -92.0 97.64 11.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -86.51 130.38 34.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.59 94.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.73 103.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 87' ' ' LEU . 31.9 mt -73.6 172.87 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -131.18 156.13 80.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.09 14.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 47.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -86.07 -178.78 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -114.16 -61.11 1.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.2 m -133.0 104.99 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.6 t -94.84 -64.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.538 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 10.4 m-30 -39.71 -35.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 m -84.09 -52.65 6.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.97 -48.58 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.99 128.83 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.98 -161.23 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.413 HG23 ' ND2' ' A' ' 84' ' ' ASN . 2.9 mt -78.75 -61.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' ND2' HG23 ' A' ' 83' ' ' ILE . 2.4 m120 -99.82 48.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.4 m -113.17 134.08 54.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.8 m-70 -118.34 146.4 44.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.138 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' HD23 ' A' ' 81' ' ' LEU . 74.4 mt -88.03 125.22 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' VAL . 9.0 m-85 -118.22 124.92 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' A' ' 58' ' ' LEU . . . -119.51 113.97 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.528 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 13.8 p -162.6 176.89 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.0 p -61.28 155.05 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 3.7 mtm180 -63.26 -25.07 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -5.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.415 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.2 m -113.75 -15.08 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 3.8 t80 -47.98 -40.97 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.35 -23.63 43.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.52 -5.58 56.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.84 140.15 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 72.4 t -133.4 142.77 45.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.02 132.16 15.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -51.49 162.86 0.64 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 103' ' ' GLU . 3.1 pt-20 -159.74 87.38 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -137.03 -173.39 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 45.6 mm -104.48 41.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -176.15 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.1 t -123.69 158.97 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.1 m 57.6 95.17 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 67.7 5.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.504 1.791 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.83 -85.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -59.11 169.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.3 t -142.55 155.85 45.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.42 172.44 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.9 mt -120.37 134.18 64.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.8 p -168.44 169.43 10.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.98 153.64 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.113 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.84 26.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.0 t -178.88 142.81 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.0 t 61.78 169.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.76 157.08 27.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.89 136.15 26.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.54 125.11 1.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -145.37 113.22 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -127.67 139.28 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.68 -144.35 8.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -136.38 74.87 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.1 mt-10 -68.65 151.58 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.601 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -150.33 177.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 m-85 -113.41 101.44 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -80.87 144.15 32.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.529 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -118.96 119.8 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 89' ' ' ALA . 87.6 t -108.35 99.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 10.7 m-85 -73.11 158.14 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.449 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.4 mmt -107.06 164.29 15.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.3 Cg_endo -74.96 4.67 4.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -119.06 15.81 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.486 ' CD2' HD22 ' A' ' 101' ' ' LEU . 19.0 m170 66.93 74.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -175.51 114.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 14.5 p90 -113.66 176.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.93 171.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 m -114.59 113.25 24.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.21 134.03 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 11.7 ttp180 -95.82 111.04 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.503 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 25.8 t -131.78 169.22 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -89.81 158.48 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.61 -12.22 51.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 p -85.62 -29.96 23.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.503 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -58.27 126.97 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -93.7 175.73 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.0 t -40.59 -52.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -49.46 -57.1 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -46.79 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 ' CE1' ' A' ' 78' ' ' PHE . 3.7 mt -41.54 -57.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ILE . 12.1 mt -40.25 -48.24 2.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.68 -50.74 63.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -58.56 -46.83 86.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 0.793 . . . . 0.0 109.978 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 40' ' ' THR . 25.2 t -57.89 -57.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' VAL . 23.3 m -32.64 -53.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -43.52 -58.71 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -45.26 -41.7 8.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 HD22 ' CG1' ' A' ' 39' ' ' VAL . 2.6 mm? -68.28 172.34 6.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -109.36 25.6 11.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' SER . 0.7 OUTLIER 38.09 92.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.058 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' TYR . 5.1 m -38.47 114.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.83 85.33 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -132.71 140.98 39.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.28 7.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.47 170.0 9.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' ARG . . . 114.97 -55.66 0.53 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.559 1.162 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 51' ' ' GLY . 0.8 OUTLIER 46.8 96.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 49.79 88.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.27 -60.0 2.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m 71.92 123.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -102.28 145.1 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.472 HD11 ' CD ' ' A' ' 92' ' ' ARG . 3.8 pt -118.01 144.32 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.417 ' CD2' HG22 ' A' ' 32' ' ' VAL . 8.4 tp -90.94 151.39 21.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 95' ' ' TYR . 46.7 t -153.63 136.63 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.35 121.65 40.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 52.6 t -119.62 134.54 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 2.3 t -114.8 168.37 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 69.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t -174.84 -38.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.67 9.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.81 100.36 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -92.17 145.38 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.2 t -141.45 95.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.24 111.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.8 mt -82.71 176.28 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -130.39 156.01 80.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -9.11 20.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 p -111.96 47.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.72 -178.6 6.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.11 -71.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.0 m -118.28 100.94 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 t -93.89 -60.38 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 12.6 m-30 -42.07 -30.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -88.95 -51.83 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.87 -43.29 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -39.89 145.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.1 -170.06 13.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.86 -49.48 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -120.58 51.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 138.69 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 5.1 m-70 -113.22 142.32 45.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.556 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' TYR . 54.1 mt -87.76 115.58 25.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CE2' ' O ' ' A' ' 16' ' ' MET . 9.5 m-85 -105.41 118.58 36.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . -114.33 113.25 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.534 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 14.1 p -163.12 176.98 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.7 p -54.28 169.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.472 ' CD ' HD11 ' A' ' 57' ' ' ILE . 5.0 mmm180 -72.62 -43.86 62.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -10.21 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.421 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 21.3 m -98.83 -9.31 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 59' ' ' VAL . 4.3 t80 -59.0 -37.34 76.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.49 -10.71 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.22 11.23 37.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 47.9 mt -83.64 127.42 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 54.0 t -117.75 141.4 28.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.03 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.69 163.0 1.16 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -130.66 -167.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.253 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 65.02 151.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 4.7 mm -88.28 46.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -112.22 -167.16 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.7 m -43.14 119.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.71 66.64 0.46 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.68 10.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -113.24 -98.52 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.46 131.87 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.249 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.4 m 61.1 145.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -78.99 142.41 36.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.7 123.3 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -59.84 -44.91 93.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 57.41 73.55 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 72.17 4.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.3 m -164.24 170.78 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.6 p -147.71 152.85 38.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -112.96 95.25 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 0.73 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -109.85 123.2 49.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.64 125.11 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -160.51 153.21 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -102.37 138.17 39.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.42 -163.05 32.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -129.79 82.77 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 27' ' ' ARG . 1.9 pt-20 -70.62 134.02 47.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.57 HD12 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -142.74 178.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 47.5 m-85 -118.51 101.53 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 3.8 t -80.39 151.75 29.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -137.31 126.73 24.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 39' ' ' VAL . 56.0 t -103.05 107.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CB ' ' CE1' ' A' ' 88' ' ' PHE . 53.3 m-85 -77.57 121.74 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.513 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 32.2 mmt -73.45 165.1 56.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.4 Cg_endo -74.97 -12.69 21.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.89 11.56 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.566 ' CD2' HD22 ' A' ' 101' ' ' LEU . 59.6 m170 66.9 84.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.83 81.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -86.91 174.29 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.13 171.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.35 118.93 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -127.82 133.59 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -83.71 109.06 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -132.16 153.45 50.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 9' ' ' GLU . 4.1 mtt180 -103.12 169.52 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 8' ' ' ASP . 32.7 mt -75.41 55.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -152.46 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.76 135.42 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 p -95.17 170.68 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' CG2' HD21 ' A' ' 58' ' ' LEU . 3.0 t -40.34 -48.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.41 -55.8 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.9 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.478 HD13 ' CE1' ' A' ' 78' ' ' PHE . 3.3 mt -44.19 -61.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 40' ' ' THR . 14.1 mt -40.65 -44.54 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.33 -55.23 22.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m -56.07 -39.06 71.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 43' ' ' LEU . 31.3 t -70.5 -52.43 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 36' ' ' LEU . 31.2 m -45.14 -25.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.48 -41.52 65.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.2 mmmt -64.43 -36.48 84.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 4.0 mm? -57.62 140.8 50.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -82.67 76.06 9.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 43' ' ' LEU . 16.0 m-85 -128.21 84.25 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.3 p -60.13 103.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 48' ' ' GLU . 2.5 tt0 170.26 50.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 47' ' ' GLU . 28.7 mt-10 59.13 151.65 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.11 8.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.92 56.97 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.51 47.26 1.74 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.39 87.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 110.343 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.48 120.26 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 55' ' ' SER . 2.6 m-20 -40.9 -52.54 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 4.0 p 163.55 109.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -134.94 125.39 26.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.1 pt -116.08 145.95 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.403 HD21 ' CG2' ' A' ' 32' ' ' VAL . 10.6 tp -88.91 146.77 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -148.19 134.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.63 121.6 39.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.51 138.04 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.79 169.52 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.457 ' HB2' ' CG2' ' A' ' 112' ' ' THR . 89.6 p -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.3 p -91.75 -1.01 57.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.45 17.38 79.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.27 101.43 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -86.73 135.61 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -135.05 94.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.91 110.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD1' ' CD2' ' A' ' 87' ' ' LEU . 32.9 mt -78.97 178.07 8.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -137.68 157.42 73.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.09 12.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.8 p -116.66 45.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -87.18 179.35 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -109.43 -66.61 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.6 m -142.11 102.04 4.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.0 t -84.8 -45.26 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CD2' HD12 ' A' ' 10' ' ' ILE . 10.4 m-30 -45.51 -36.0 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -90.35 -46.92 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.61 -45.02 27.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -39.66 136.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.68 -156.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.67 -51.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' HB3' ' CA ' ' A' ' 110' ' ' GLY . 31.1 m-80 -118.09 52.49 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -111.31 149.02 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -127.81 145.45 50.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.463 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 27.9 mt -88.08 142.48 27.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CB ' ' A' ' 15' ' ' TYR . 8.5 m-85 -135.13 124.45 24.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.16 114.62 28.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.485 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 13.9 p -160.97 173.8 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.5 p -69.02 -179.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -40.48 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -10.46 59.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -105.12 -17.83 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.4 t80 -52.79 -43.02 65.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -77.73 -14.43 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.14 3.51 53.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.485 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 73.2 mt -75.09 150.74 38.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 47.0 t -144.21 141.48 18.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 140.51 25.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -53.79 161.34 1.72 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.28 167.86 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 104' ' ' GLU . 7.1 pt-20 -81.82 88.93 6.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 106' ' ' GLN . 3.2 mt -106.09 18.73 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.542 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 1.3 mt-30 157.88 65.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.8 t 63.17 82.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.92 134.85 8.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.11 23.96 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.422 ' CA ' ' HB3' ' A' ' 84' ' ' ASN . . . 139.26 -130.38 4.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.7 t0 60.01 115.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 63' ' ' SER . 14.9 t -166.67 42.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 73.22 95.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -49.51 109.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 54.1 p -134.91 96.28 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -46.06 170.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 78.76 2.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -150.63 82.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.7 m -85.08 101.12 12.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.95 100.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.53 -63.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.72 155.55 26.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 p -78.0 -27.74 49.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 0.794 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.8 179.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.52 -151.96 23.72 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.85 76.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CD ' ' NH1' ' A' ' 27' ' ' ARG . 9.5 mt-10 -66.61 149.36 50.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.578 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 3.2 pt -151.04 176.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 36.1 m-85 -111.27 101.29 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 7.8 t -80.65 147.3 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -126.78 128.05 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 45.8 t -111.16 101.38 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.565 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 10.5 m-85 -72.19 149.8 44.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.461 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 28.4 mmt -98.42 166.13 13.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 -12.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.92 16.95 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CD2' HD21 ' A' ' 101' ' ' LEU . 35.5 m170 66.77 79.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.26 103.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -103.61 178.8 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 m -135.88 173.37 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -116.43 119.49 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.95 134.99 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -91.28 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.504 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 46.0 t -132.21 168.38 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 9' ' ' GLU . 6.9 mtm-85 -98.18 150.89 21.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.82 -24.45 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 t -75.68 -34.39 60.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -47.46 138.85 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -99.18 167.11 10.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.461 ' CG2' HD21 ' A' ' 58' ' ' LEU . 2.7 t -40.15 -48.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -49.24 -61.0 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' CD1' ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -40.43 -58.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.95 -46.36 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.97 92.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 m -63.51 -47.92 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 ' CD2' ' A' ' 43' ' ' LEU . 89.0 t -63.59 -52.8 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.7 m -41.87 -37.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.74 -44.22 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.9 mmmt -59.33 -38.28 79.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 4.1 mm? -56.55 166.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 4.5 mt-30 -88.24 81.5 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 43' ' ' LEU . 26.2 m-85 -142.09 131.71 24.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -152.55 -71.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 57.58 1.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.88 115.53 5.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.61 159.83 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.89 -54.6 0.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.81 31.59 20.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -102.78 158.27 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.373 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.74 -90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.07 16.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt 62.25 131.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 90' ' ' CYS . 4.1 pt -117.17 143.89 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 32' ' ' VAL . 13.0 tp -89.05 149.43 23.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.577 HG22 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -153.98 133.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.14 121.4 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.3 t -117.46 136.47 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 169.36 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.21 69.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.96 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.21 25.84 2.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.45 95.73 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -89.98 134.96 33.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.9 t -130.64 87.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.67 109.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 87' ' ' LEU . 39.3 mt -82.0 -179.15 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -140.66 158.2 66.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.19 12.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.9 p -119.91 48.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -86.39 -175.02 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -121.66 -67.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.4 p -124.52 100.45 6.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.0 t -94.73 -66.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 12.4 m-30 -38.43 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . 2.1 m -89.08 -58.57 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.05 -43.48 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -44.75 132.08 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.79 -164.3 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 mm -82.11 -49.01 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -115.61 55.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -115.83 132.9 56.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.2 m-70 -111.17 140.74 45.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.598 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 70' ' ' LEU . 50.4 mt -88.24 131.28 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' CE2' ' O ' ' A' ' 16' ' ' MET . 12.7 m-85 -117.29 125.14 50.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -110.28 114.12 27.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.451 ' O ' ' CG1' ' A' ' 57' ' ' ILE . 13.9 p -162.88 173.94 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -65.55 -178.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.87 -32.34 51.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -0.88 42.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 m -114.41 -14.43 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.577 ' CD2' HG22 ' A' ' 59' ' ' VAL . 2.9 t80 -48.87 -43.89 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.96 -26.9 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.14 -8.37 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 32.6 mt -73.4 143.64 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 76.1 t -131.16 143.19 48.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.95 129.83 12.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -59.81 162.18 10.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -138.74 46.41 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.62 -173.54 2.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.42 43.6 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -129.27 114.19 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.6 t 44.68 56.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.69 120.48 0.42 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 98.24 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -133.04 128.95 5.28 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -66.43 168.92 8.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 30.7 m -66.36 94.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 178.97 134.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 pt -103.35 -30.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t 54.34 60.92 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 91.12 172.48 43.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -61.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.95 125.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.2 131.69 51.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -40.51 124.83 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.29 142.45 58.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.948 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.69 -122.24 4.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.85 95.95 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.42 150.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.08 138.81 3.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -116.34 69.51 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.31 147.95 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.582 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -146.94 177.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.43 101.5 8.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.1 t -74.03 152.17 40.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -132.71 113.75 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 39' ' ' VAL . 32.6 t -99.32 100.57 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 20.9 m-85 -75.26 123.74 25.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.477 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.1 mmt -73.38 166.47 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.2 Cg_endo -75.04 -11.3 21.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -106.87 11.79 29.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.566 ' CD2' HD21 ' A' ' 101' ' ' LEU . 61.2 m170 67.28 81.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.01 82.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.52 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 6.2 p90 -86.85 176.83 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.2 m -135.23 173.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.445 ' OG1' ' NH1' ' A' ' 13' ' ' ARG . 2.2 m -111.61 118.64 36.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.76 132.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -91.5 111.4 22.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -132.15 165.8 23.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.76 173.37 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.2 45.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -146.16 -45.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.1 122.63 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -73.36 173.91 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -48.19 -50.86 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 9.1 pt20 -57.16 -46.19 82.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -51.83 -59.15 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.549 HD13 ' CE1' ' A' ' 78' ' ' PHE . 5.6 mt -51.88 -55.27 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.2 mt -40.54 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.11 -44.29 63.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' ILE . 70.9 m -67.44 -46.66 72.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 109.968 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 14' ' ' VAL . 61.0 t -62.46 -58.38 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -38.95 -35.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -50.35 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.07 -38.7 68.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? -62.89 140.9 58.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -71.89 85.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -98.43 80.0 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m -127.35 -80.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -114.96 65.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.26 155.37 44.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.85 7.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.51 73.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.08 -55.39 24.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -165.8 166.81 17.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.287 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 68.0 166.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.62 121.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t -115.19 -146.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -145.87 132.17 19.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -126.3 149.32 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.8 tp -88.16 149.79 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 95' ' ' TYR . 53.9 t -152.72 146.52 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.36 121.01 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.2 t -116.91 134.46 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -106.6 163.92 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.15 67.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 m -174.2 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.42 38.27 0.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.17 97.6 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -89.41 139.67 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.4 t -134.86 88.82 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.51 111.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.29 175.96 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -130.62 154.85 81.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.2 p -118.66 42.82 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -84.5 -176.24 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -121.21 -64.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 96.2 m -127.4 104.96 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -94.37 -60.34 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.582 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 11.4 m-30 -40.69 -28.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -89.01 -48.83 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -45.4 -52.46 10.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.475 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -40.13 136.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.81 -161.51 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.48 -57.52 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -104.38 53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -121.3 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -120.43 146.21 46.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 81' ' ' LEU . 43.2 mt -88.11 144.03 26.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.475 ' CE2' ' O ' ' A' ' 16' ' ' MET . 9.9 m-85 -132.79 120.32 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.45 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -104.72 114.38 28.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.2 p -161.48 174.0 14.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.337 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.73 168.25 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -41.03 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -7.72 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.9 m -107.85 -25.82 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.043 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.546 ' CD2' HG22 ' A' ' 59' ' ' VAL . 4.2 t80 -48.01 -44.09 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -75.72 -20.36 58.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.24 8.48 21.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.487 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 72.2 mt -82.09 146.58 29.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -136.34 142.19 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 132.25 15.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -51.81 164.49 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -154.77 99.97 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 -169.33 2.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 mp -100.06 49.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -142.74 -176.3 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.03 93.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.95 118.48 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 66.22 6.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.46 1.768 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -128.93 113.79 1.63 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.99 128.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.38 160.5 13.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 115' ' ' SER . 2.0 tt0 -99.39 153.77 18.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.1 mm 66.57 -75.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.6 OUTLIER 72.05 150.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -178.52 97.37 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.21 42.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.9 p -149.5 78.03 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 55.9 p -83.44 156.69 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 p -93.49 120.41 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 64.21 93.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.012 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.15 -114.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -154.88 98.49 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.48 -65.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.058 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.79 179.95 29.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -134.05 62.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.78 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mt-10 -79.08 153.82 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.8 pt -150.48 176.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 77.3 m-85 -117.0 101.36 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.55 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 1.8 t -80.27 149.5 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 108.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -137.55 126.94 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 55.0 t -101.43 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 15.6 m-85 -75.05 121.78 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 29.2 mmt -72.45 165.86 47.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.0 Cg_endo -75.03 -11.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.426 1.751 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.62 12.83 25.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' CD2' HD23 ' A' ' 101' ' ' LEU . 61.7 m170 67.47 84.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 t -175.61 81.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -89.7 178.67 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.47 173.7 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -112.81 119.85 39.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.02 135.31 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.3 ttm180 -87.8 112.65 22.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -132.22 166.61 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -104.42 173.33 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -91.55 38.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -131.62 -44.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.59 177.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.2 p -126.29 174.26 8.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 t -43.95 -46.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -49.18 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.42 -68.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.504 HD13 ' CZ ' ' A' ' 78' ' ' PHE . 2.3 mp -41.81 -60.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 mt -42.48 -50.72 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.79 48.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -61.12 -53.98 50.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.445 ' CG2' ' CG2' ' A' ' 14' ' ' VAL . 22.2 t -54.63 -58.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.4 m -42.47 -38.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -42.77 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.4 mmmt -61.93 -37.61 85.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 43' ' ' LEU . 3.8 mm? -60.9 159.86 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 1.5 mp0 -64.53 97.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.37 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 46.6 m-85 -161.47 94.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 t -138.14 -64.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.24 55.62 1.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.52 162.76 19.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 2.8 6.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.95 71.02 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.09 -56.36 12.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.43 1.081 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 177.47 111.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -177.78 82.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 179.21 -48.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 m 61.42 125.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt -112.35 141.53 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 pt -107.55 146.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.429 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 11.5 tp -88.53 151.81 22.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -154.51 132.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 121.53 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.4 t -115.6 145.01 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -122.35 167.63 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.9 p -68.23 69.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -177.69 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.63 17.91 5.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.01 97.42 8.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 0.787 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -89.81 143.02 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.9 t -136.06 88.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.09 109.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 77' ' ' VAL . 52.8 mt -85.07 176.83 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -141.37 158.36 63.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.3 p -120.27 44.06 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -84.01 -177.51 6.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.168 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -112.46 -65.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.61 104.15 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 70' ' ' LEU . 3.9 t -94.43 -61.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -38.69 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.5 m -87.43 -49.98 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.72 -46.21 40.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -40.52 123.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.57 -167.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.418 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.9 mt -74.74 -52.64 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.418 ' ND2' HG22 ' A' ' 83' ' ' ILE . 2.9 m120 -112.11 51.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -112.47 138.33 49.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -119.35 145.91 45.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' TYR . 71.6 mt -88.53 137.75 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 16' ' ' MET . 13.0 m-85 -126.97 119.97 27.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.448 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -106.49 114.88 29.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.406 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 13.8 p -159.01 174.21 15.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 108.272 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.5 p -63.52 -169.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -87.22 -27.19 23.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -6.77 58.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 m -105.37 -15.67 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.567 ' CD2' HG23 ' A' ' 59' ' ' VAL . 2.9 t80 -49.77 -41.87 45.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -31.74 59.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.62 -11.22 52.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 58.1 mt -65.71 140.29 58.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 58.1 t -129.46 141.65 42.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.96 130.64 13.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -54.8 164.05 1.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 16.0 tt0 -139.03 105.73 5.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 103' ' ' GLU . 32.2 mt-10 -160.43 -173.26 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 mp -97.3 45.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.5 OUTLIER -121.94 -156.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 m -52.47 93.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 106' ' ' GLN . 72.0 p -171.04 146.17 2.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 83.44 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.0 170.84 55.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -177.17 89.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.9 m 63.72 123.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.29 169.5 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.1 mt 65.79 89.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.19 -61.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -178.06 156.95 20.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 83.66 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.0 t -87.73 163.02 16.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.5 p -101.89 133.24 46.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.11 96.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.6 98.72 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.81 172.86 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -172.41 -62.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.23 110.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.31 -144.92 4.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.83 76.56 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -73.77 145.93 44.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.622 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -147.48 173.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.63 100.71 8.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 152.85 22.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 1.7 mpt_? -136.54 120.0 16.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.465 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 73.5 t -92.04 101.9 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.533 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 15.4 m-85 -71.44 119.29 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.9 mmt -72.93 165.56 51.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.4 Cg_endo -74.99 -11.72 21.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -105.88 10.67 32.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CD2' HD21 ' A' ' 101' ' ' LEU . 59.6 m170 67.67 82.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.625 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 t -176.43 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.504 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 22.9 p90 -86.3 178.53 7.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -139.93 156.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 125.68 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.68 132.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -88.49 107.39 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 10' ' ' ILE . 22.6 t -132.15 160.86 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 149.68 21.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 2.5 mt -58.29 -26.22 62.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -45.32 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.17 163.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.82 169.76 9.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 58' ' ' LEU . 5.0 t -40.19 -47.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -47.99 -62.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.05 -65.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -42.5 -58.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -42.49 -62.61 0.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.96 -42.3 38.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -64.43 -58.04 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 43' ' ' LEU . 32.1 t -52.33 -46.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 m -41.64 -42.55 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.62 -42.22 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.3 mmtt -61.97 -37.93 86.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 4.0 mm? -58.69 137.23 57.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.9 74.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CD2' ' HB3' ' A' ' 43' ' ' LEU . 13.5 m-85 -129.9 99.37 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.0 t -94.5 173.09 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.047 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 76.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -129.81 162.44 53.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 2.19 6.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.38 -179.93 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.32 -53.55 4.87 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.58 -61.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 50.21 94.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.35 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -89.22 -61.3 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 92.7 p -170.36 126.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.08 129.63 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.3 pt -109.04 146.66 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 9.3 tp -88.55 157.06 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 95' ' ' TYR . 99.4 t -156.94 142.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.44 121.33 44.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.4 t -119.12 130.94 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.3 167.4 9.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.0 p -70.33 69.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.84 -38.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.99 36.38 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -105.02 102.03 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -92.61 135.21 34.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.5 t -130.98 88.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.15 109.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.7 mt -85.39 176.28 8.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -134.48 156.86 78.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -5.93 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.821 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.23 44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -85.47 -175.49 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -117.14 -73.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 82.0 m -116.59 102.22 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' THR . 40.1 t -95.44 -68.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 10.3 m-30 -37.38 -32.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.9 m -87.34 -51.6 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.61 -49.31 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.94 133.44 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.5 -157.94 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mp -81.38 -52.28 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -114.82 56.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.427 ' HB2' ' CD1' ' A' ' 81' ' ' LEU . 8.5 m -112.16 142.17 44.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.526 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.5 m-70 -122.09 139.64 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 81' ' ' LEU . 58.2 mt -87.98 127.81 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 65.1 m-85 -119.67 118.66 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -107.75 114.34 28.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.466 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 30.0 p -157.02 173.62 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -62.6 176.24 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.44 59.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.44 -7.09 45.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -108.03 -16.11 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.548 ' CD2' HG22 ' A' ' 59' ' ' VAL . 2.3 t80 -49.15 -41.27 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.69 -19.14 42.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.62 1.15 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.466 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 44.3 mt -78.57 150.67 32.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 76.9 t -139.57 143.67 36.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 126.7 10.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -53.0 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -143.37 65.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.5 -174.06 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 mp -106.91 45.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 -169.04 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.0 t -95.67 83.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.466 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.5 OUTLIER 167.45 -54.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.04 -172.21 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.45 162.07 28.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.49 176.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.774 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.4 t -113.27 143.82 43.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.05 163.05 2.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.43 176.83 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.38 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -131.62 157.34 22.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 173.15 15.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.4 m -88.45 134.79 33.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.955 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.5 t -64.5 149.84 47.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -167.37 127.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.31 125.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.69 -130.68 6.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -125.87 86.53 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.964 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -180.0 157.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.24 -105.09 0.21 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.564 1.165 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 28' ' ' LEU . 11.4 m-20 42.45 77.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.0 mt-10 -77.3 147.78 36.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -149.39 174.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 52.9 m-85 -117.27 101.32 8.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -76.54 144.19 39.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.7 mpp_? -127.22 119.24 25.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.446 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 79.4 t -97.05 98.8 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.7 m-85 -71.51 127.01 31.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.463 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mmt -78.16 166.21 44.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.01 -11.68 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -107.3 13.46 27.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.562 ' CD2' HD21 ' A' ' 101' ' ' LEU . 53.7 m170 66.91 82.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.45 85.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 33.8 p90 -87.12 178.09 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 m -139.24 163.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -102.26 122.6 44.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.98 137.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -85.71 110.65 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -132.5 161.84 32.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.409 ' HG2' ' CG ' ' A' ' 9' ' ' GLU . 31.1 mtt180 -109.57 172.28 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 8' ' ' ASP . 15.3 mt -87.41 44.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . 94.6 p -139.12 -45.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' SER . . . -50.61 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' VAL . 1.7 p -132.14 171.34 13.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.088 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' SER . 4.5 t -39.87 -51.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -44.6 -62.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.65 -67.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mt -42.26 -61.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt -40.88 -46.57 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.11 -57.17 12.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 m -53.39 -36.71 61.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' LYS . 15.8 t -74.32 -60.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.6 m -38.19 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 30.1 mt-10 -67.21 -49.75 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.0 mmmt -53.37 -36.39 61.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 39' ' ' VAL . 3.5 mm? -59.03 163.62 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -108.4 104.01 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -118.23 124.66 48.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.09 161.87 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.5 73.46 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -121.63 160.54 45.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.12 6.97 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.84 175.91 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.86 -56.89 0.56 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.75 107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -124.8 144.16 50.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -153.92 -51.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.8 p 175.03 133.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.71 134.57 53.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.72 146.57 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 13.0 tp -88.5 152.12 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.541 HG21 ' CD2' ' A' ' 95' ' ' TYR . 61.3 t -154.69 134.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.78 120.96 35.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -114.32 137.02 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' OG ' ' OG ' ' A' ' 85' ' ' SER . 0.1 OUTLIER -117.83 169.41 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -14.39 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -101.59 30.02 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.69 47.11 9.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.39 99.44 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -91.56 131.45 36.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 t -131.35 96.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.67 109.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 87' ' ' LEU . 27.1 mt -84.57 175.15 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -134.43 157.61 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.34 9.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.4 p -122.97 46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -85.53 -176.65 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -117.61 -69.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 64.6 m -120.65 100.84 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.18 -66.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.3 m-30 -38.67 -31.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -86.67 -48.1 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.441 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -44.25 -49.81 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.8 137.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.79 -161.66 5.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.69 -55.37 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.53 56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' OG ' ' OG ' ' A' ' 62' ' ' SER . 16.8 m -118.4 141.86 48.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -123.27 146.41 47.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 70' ' ' LEU . 44.6 mt -88.82 137.98 31.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.436 ' CE2' ' O ' ' A' ' 16' ' ' MET . 10.0 m-85 -126.84 123.93 38.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.35 114.74 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.1 p -161.44 173.53 14.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.6 p -66.47 -167.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -86.64 -34.72 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -76.83 -7.8 56.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ALA . 34.2 m -107.28 -24.58 11.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.541 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.4 t80 -42.54 -41.53 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -79.58 -31.0 41.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -67.02 -10.79 53.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 62.9 mt -65.03 149.8 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 80.3 t -136.01 142.98 42.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.04 127.85 10.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -52.08 165.03 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.68 62.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -147.85 -174.27 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 5.2 mt -106.8 42.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -129.42 91.25 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.5 t 61.38 81.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.13 167.25 5.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.22 13.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.55 166.13 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -106.14 118.71 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 p -59.66 105.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.46 135.34 57.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.9 pt 41.4 62.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 t -95.48 143.08 27.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.29 157.91 15.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 134.49 17.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 12.4 t -125.52 -57.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.05 88.3 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m 54.97 86.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -164.71 91.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.96 -55.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 m 69.54 -68.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -111.81 145.64 39.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.7 -152.36 24.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -122.44 81.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 5.2 mt-10 -75.88 145.06 40.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -149.03 161.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -104.09 101.49 11.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -78.02 152.9 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 108.297 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -137.28 119.12 15.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 89' ' ' ALA . 94.0 t -101.69 102.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 27.6 m-85 -72.58 125.46 27.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 31.7 mmt -71.28 163.71 63.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.64 4.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.6 14.91 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.559 ' CD2' HD23 ' A' ' 101' ' ' LEU . 21.9 m170 66.7 81.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.69 81.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -87.19 178.3 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.8 m -138.28 173.8 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -110.27 114.67 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -126.95 134.22 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -88.5 111.71 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.5 t -131.5 159.91 36.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -99.46 174.03 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -89.92 40.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -132.49 -44.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 29' ' ' SER . . . -50.81 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -132.62 175.88 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -43.24 -45.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.21 -61.39 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.79 -67.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 HD13 ' CE1' ' A' ' 78' ' ' PHE . 2.5 mp -42.78 -63.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' ILE . 13.4 mt -40.08 -44.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.59 56.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -60.14 -45.7 92.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 14' ' ' VAL . 54.7 t -63.79 -51.1 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 m -40.55 -37.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.96 -46.37 81.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.5 mmmt -57.94 -38.67 76.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 43' ' ' LEU . 4.0 mm? -57.29 140.08 51.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' TYR . 60.3 mt-30 -45.44 -47.23 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CZ ' HG23 ' A' ' 40' ' ' THR . 0.6 OUTLIER 36.49 85.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -174.0 -68.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -120.43 44.93 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.28 153.57 71.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.19 8.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.83 152.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.73 -36.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 70.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.757 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -140.41 170.69 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.15 -88.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -142.89 15.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt 62.31 132.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 pt -115.12 143.21 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.4 tp -90.08 149.34 22.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.574 HG23 ' CD2' ' A' ' 95' ' ' TYR . 39.3 t -153.25 136.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.57 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -116.93 139.76 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.84 167.79 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 69.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.2 t -176.93 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.26 31.72 1.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -96.71 95.76 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -87.56 145.46 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -141.44 92.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.6 110.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.98 178.6 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 155.18 77.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -7.15 18.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 p -115.21 49.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -87.07 179.25 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.66 -55.43 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.3 m -141.47 104.6 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.84 -58.78 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 9.9 m-30 -41.96 -32.31 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 m -83.66 -59.86 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -43.52 -45.18 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -39.75 131.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.14 -164.28 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 mm -86.23 -45.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.39 45.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 139.6 44.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -114.36 147.02 39.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.543 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' TYR . 41.9 mt -87.55 125.34 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CZ ' ' O ' ' A' ' 99' ' ' VAL . 5.7 m-85 -115.21 130.25 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.47 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . -120.08 113.73 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.436 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 8.2 p -154.99 174.57 14.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 p -64.36 -174.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -84.48 -17.85 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 2.51 44.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.0 m -113.67 -15.47 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.052 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 59' ' ' VAL . 3.3 t80 -48.61 -39.08 22.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.81 -25.29 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.69 -6.8 50.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 47.0 mt -68.35 146.12 53.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -132.92 142.6 45.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.5 Cg_endo -74.97 127.67 10.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -58.58 163.62 4.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.42 115.86 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -155.21 -170.65 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mm -119.96 45.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -161.38 91.57 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.0 t 61.25 58.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.6 t -172.44 100.18 0.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 77.12 3.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -140.16 163.77 26.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -92.78 99.95 12.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 t -65.19 131.9 47.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.9 147.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.13 66.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.39 87.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.03 -170.28 37.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 102.38 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.7 t -66.83 136.14 54.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.024 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 t -136.19 129.66 32.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.79 108.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.97 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -118.87 86.69 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.34 85.8 0.32 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -71.18 94.34 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -119.65 127.68 53.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.08 -151.38 6.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 1.9 m-20 -120.66 82.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mt-10 -67.82 147.6 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.4 pt -150.96 173.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -114.86 102.73 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 p -102.46 148.82 25.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' HB3' ' CD1' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -126.22 140.13 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 25.5 t -108.52 102.01 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 45.8 m-85 -68.93 149.76 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.9 mmt -101.19 164.83 15.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.3 Cg_endo -75.03 4.64 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.31 15.67 11.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.464 ' CD2' HD21 ' A' ' 101' ' ' LEU . 15.3 m170 66.92 76.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.09 109.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 6.4 p90 -114.85 172.16 7.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.47 164.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -103.27 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.3 pt -126.62 141.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -99.79 110.35 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -132.02 169.21 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -99.01 173.9 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 8' ' ' ASP . 52.3 mt -84.06 48.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -149.42 -45.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' SER . . . -39.87 128.97 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' VAL . 9.5 p -83.79 166.05 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG2' HD23 ' A' ' 58' ' ' LEU . 2.6 t -39.84 -47.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -53.33 -56.52 15.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.14 -60.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LEU . 2.7 mp -49.83 -59.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' ILE . 18.7 mt -39.66 -43.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -49.22 63.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -59.02 -41.81 88.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LYS . 55.3 t -71.66 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' VAL . 18.6 m -37.88 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.07 -50.72 70.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 8.9 mmmt -53.62 -39.93 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.8 mm? -59.58 -173.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -126.58 97.77 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -141.52 178.67 7.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.7 p -103.23 168.15 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -104.72 71.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -103.85 160.11 27.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ALA . 18.3 Cg_endo -74.95 75.13 3.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' PRO . . . 40.37 64.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.78 -50.83 4.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -51.36 -52.86 41.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 63.99 76.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -146.98 -46.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m 70.57 132.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.89 151.51 19.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pt -124.74 139.72 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD23 ' CG2' ' A' ' 32' ' ' VAL . 13.4 tp -89.94 150.89 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 95' ' ' TYR . 38.4 t -150.18 143.93 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.34 120.42 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.3 t -115.92 127.41 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 p -100.55 177.18 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.7 p -67.74 -9.34 43.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 t -100.45 1.13 40.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.65 32.62 57.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -88.24 99.9 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -86.4 135.84 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.57 99.39 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 110.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.37 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.24 176.38 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -131.44 154.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 p -118.72 42.16 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.78 -177.39 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.83 -73.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 97.5 m -102.42 93.5 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.0 t -95.34 -66.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.436 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.2 m-30 -46.22 -24.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -90.48 -53.76 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -46.38 -50.81 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -39.46 140.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.63 -163.81 3.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.65 -58.0 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.6 54.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -115.84 126.46 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.964 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -104.9 140.14 38.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 53.4 mt -87.95 133.85 33.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -122.71 118.01 27.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -112.59 113.71 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.516 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 9.9 p -160.53 176.6 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 p -61.04 161.2 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -69.52 -12.12 61.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.4 -3.67 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.452 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.1 m -117.09 -8.51 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.569 ' CD2' HG22 ' A' ' 59' ' ' VAL . 3.2 t80 -55.93 -38.37 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -6.43 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.59 13.87 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 20.3 mt -84.81 143.29 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 43.0 t -130.7 141.06 40.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.95 129.26 12.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -58.02 162.17 5.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.521 1.8 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 58.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.75 -169.44 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.92 48.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.81 68.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.8 t 58.81 65.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.2 p 179.25 111.84 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 93.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.802 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.14 151.21 22.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -165.86 152.61 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.8 m 46.23 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.61 173.72 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.4 mp -111.11 -63.56 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.3 t -127.27 170.58 12.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -144.29 -162.13 9.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -53.64 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 -58.64 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.35 85.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -126.06 103.64 7.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -174.83 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.15 169.85 11.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.11 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.02 119.12 29.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.13 97.03 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.4 -177.81 25.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.413 ' CB ' HD13 ' A' ' 28' ' ' LEU . 30.3 m-20 -131.03 80.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 -65.11 146.42 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -151.72 170.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 31.8 m-85 -111.82 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 42.6 t -73.23 145.12 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -124.27 119.32 28.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 39' ' ' VAL . 55.7 t -102.47 98.71 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 22.2 m-85 -70.81 139.98 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 25.9 mmt -89.19 166.02 23.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.97 -11.71 21.56 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.72 15.89 25.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.562 ' CD2' HD22 ' A' ' 101' ' ' LEU . 40.6 m170 66.66 78.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.8 t -175.78 96.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 17.4 p90 -95.2 178.32 5.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.06 169.63 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -110.06 123.84 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.21 127.72 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -81.5 112.06 18.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -132.2 169.14 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 3.2 ttm180 -102.7 178.11 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD13 ' CB ' ' A' ' 8' ' ' ASP . 17.7 mt -91.16 38.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.13 -45.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.93 146.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -100.13 173.79 6.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 t -46.86 -48.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.17 -57.93 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.15 -62.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 78' ' ' PHE . 4.8 mt -47.93 -57.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -40.4 -44.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.89 54.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -59.36 -55.57 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 40' ' ' THR . 63.2 t -48.55 -57.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.58 HG22 ' CE1' ' A' ' 45' ' ' TYR . 11.1 m -32.8 -54.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -57.93 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -46.12 -42.03 13.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.05 174.68 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -132.66 106.2 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.58 ' CE1' HG22 ' A' ' 40' ' ' THR . 1.2 p90 -117.28 113.4 22.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.7 m -44.13 163.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.44 68.8 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.273 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.16 161.71 22.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 2.21 6.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.99 66.2 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.04 57.29 0.72 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -70.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.59 102.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -177.47 116.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 56' ' ' LEU . 1.3 m -135.62 13.06 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' SER . 4.9 mt 61.3 145.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 69' ' ' LEU . 7.6 pt -112.21 146.67 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 9.0 tp -88.44 153.05 21.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 95' ' ' TYR . 60.2 t -154.97 137.12 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.68 121.25 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.02 136.41 53.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.71 169.9 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t -62.2 -13.59 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.38 27.32 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.78 47.03 13.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.97 96.31 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -87.19 137.62 32.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.84 98.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 57' ' ' ILE . 0.8 OUTLIER -61.3 104.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -75.67 177.62 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -128.87 154.86 80.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -4.12 14.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 p -114.2 45.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.16 -178.66 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -126.06 -55.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.9 m -126.56 97.55 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 79' ' ' THR . 26.9 t -95.15 -63.62 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 12' ' ' CYS . 10.2 m-30 -41.24 -27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 77' ' ' VAL . 2.4 m -87.36 -43.95 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -52.09 -41.27 62.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -40.26 124.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.88 -166.98 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -74.32 -50.09 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -120.96 49.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 m -108.15 148.01 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.8 m-70 -124.88 144.58 50.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 mt -88.03 128.31 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CE2' ' O ' ' A' ' 16' ' ' MET . 9.3 m-85 -117.68 125.43 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -108.8 114.76 28.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 14.1 p -161.99 172.93 15.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 p -73.2 179.52 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -72.2 -23.02 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -8.07 56.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' ALA . 6.3 m -108.28 -23.99 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.56 ' CD2' HG23 ' A' ' 59' ' ' VAL . 2.8 t80 -44.89 -42.82 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.35 -23.82 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 61.3 mt -73.91 148.32 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 95.9 t -134.63 142.51 42.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.484 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.0 130.35 13.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -57.94 163.65 4.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -140.94 91.27 2.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.69 -169.14 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 65.8 mt -112.3 45.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.93 37.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.2 p -171.11 57.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -173.85 162.38 3.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 82.96 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.8 172.4 13.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.7 159.62 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.793 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 m 60.4 105.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -169.72 119.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 45.2 mt -98.81 97.28 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.84 122.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.7 142.26 11.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.26 2.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.81 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.5 135.89 50.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.64 116.57 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.05 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -151.74 -59.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 0.732 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.32 130.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.57 54.42 4.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -175.21 99.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 0.729 . . . . 0.0 109.965 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -137.41 88.62 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.26 81.99 0.12 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -133.97 74.34 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -68.08 142.67 55.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -146.07 177.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.6 m-85 -111.24 101.43 9.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.7 t -83.49 152.56 24.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.71 125.72 30.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 89' ' ' ALA . 76.7 t -100.17 104.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 20.2 m-85 -72.82 150.19 42.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.443 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 30.1 mmt -103.91 165.6 13.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.455 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.11 15.12 28.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.421 ' CD2' HD21 ' A' ' 101' ' ' LEU . 34.0 m170 66.49 81.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.07 109.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -110.07 176.71 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -133.16 169.08 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 m -109.69 125.36 52.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.72 136.74 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -87.2 113.26 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.3 t -131.75 167.74 18.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 30' ' ' ALA . 75.4 mtm180 -114.15 144.13 43.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mt -49.85 -25.88 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -70.58 -34.15 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 27' ' ' ARG . . . -58.18 172.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 p -131.72 172.61 12.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 t -43.6 -46.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -49.19 -53.34 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -50.97 -66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -43.21 -58.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 mt -46.73 -63.71 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.95 -48.75 9.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -61.87 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG2' ' CG2' ' A' ' 14' ' ' VAL . 42.0 t -43.45 -52.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' VAL . 54.2 m -37.72 -41.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.05 -50.74 72.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 11.0 mmmt -53.33 -39.91 64.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.452 HD21 ' CG1' ' A' ' 39' ' ' VAL . 3.8 mm? -59.54 160.59 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 22.7 mp0 -87.43 75.04 9.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 44' ' ' GLN . 23.4 m-85 -140.47 179.75 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -95.17 169.93 9.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.29 39.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.259 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.96 101.15 15.38 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.25 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 75.19 3.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 177.11 65.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.24 48.11 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.46 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 49.24 78.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.44 -45.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.3 m 72.2 131.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.37 146.05 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -122.85 138.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 tp -89.75 150.21 22.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -149.41 131.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.46 121.53 36.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.4 t -115.35 130.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.2 t -114.77 165.94 12.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -24.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 28.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 41.04 31.65 0.5 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -84.43 97.94 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -83.56 135.66 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -134.08 99.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.641 ' CD1' ' CE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -62.21 99.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.8 mt -74.04 174.24 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -135.98 158.62 73.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.02 9.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.43 1.753 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.1 p -119.72 45.41 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -87.9 -179.99 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -108.99 -70.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.0 m -131.91 100.53 5.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 108.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 79' ' ' THR . 21.5 t -88.23 -56.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 12' ' ' CYS . 10.8 m-30 -42.89 -27.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . 5.7 m -89.98 -57.29 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.91 -47.3 5.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.15 129.95 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.54 -159.05 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -92.05 -37.11 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -117.63 48.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 70.2 m -118.04 150.52 39.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 4.5 m-70 -132.28 145.8 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.643 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' TYR . 62.2 mt -88.39 122.13 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 59' ' ' VAL . 12.8 m-85 -114.84 122.69 47.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.467 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -112.19 115.83 29.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.436 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 15.0 p -161.68 173.89 14.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.5 p -69.08 169.73 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -68.61 -18.51 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.64 -5.32 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 m -117.81 -5.56 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.641 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 2.1 t80 -58.75 -40.93 85.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -12.22 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.16 7.78 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 49.4 mt -82.91 138.9 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 41.4 t -126.06 141.33 39.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.02 133.22 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -63.24 162.08 27.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -153.38 107.33 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -139.11 -174.01 3.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 7.9 mt -105.33 42.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.22 116.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.5 t 63.18 133.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.2 p 73.48 140.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.453 ' CD ' ' OH ' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.04 138.12 22.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 151.39 148.78 4.89 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -137.26 172.36 13.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.753 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 52.8 m 62.09 162.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 56.3 97.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.2 pt -105.42 179.64 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 55.9 107.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -138.23 74.55 0.4 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' SER . 18.3 Cg_endo -74.96 105.82 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.6 m 57.72 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 117' ' ' PRO . 4.6 m 66.86 88.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.06 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 m -128.92 112.03 13.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.95 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.59 134.41 28.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.24 138.85 25.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 0.729 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -162.06 -53.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.04 -148.69 7.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 5.2 m-20 -127.59 82.15 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.76 142.95 54.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.552 HD12 ' CD2' ' A' ' 78' ' ' PHE . 3.1 pt -146.65 176.96 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 20.5 m-85 -116.34 101.72 8.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.0 t -78.96 151.11 31.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -137.39 119.11 15.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 39' ' ' VAL . 76.7 t -99.03 104.57 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 16.5 m-85 -75.14 122.8 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.461 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.0 mmt -73.68 166.01 47.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.02 -11.58 21.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.83 12.64 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' CD2' HD22 ' A' ' 101' ' ' LEU . 31.5 m170 66.68 81.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.12 87.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -91.19 178.8 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.88 172.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -110.18 119.47 39.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.12 141.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -91.16 111.71 23.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 t -132.17 154.24 49.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.75 175.53 6.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 8' ' ' ASP . 19.4 mt -90.78 38.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -136.55 -45.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.92 167.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -118.1 170.76 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' HD21 ' A' ' 58' ' ' LEU . 2.5 t -42.86 -48.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -47.13 -54.93 9.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -47.38 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' ASP . 2.4 mp -40.01 -55.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.49 -51.95 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.79 17.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -54.76 -51.0 67.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 14' ' ' VAL . 37.0 t -58.74 -56.44 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 m -44.36 -40.58 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.68 -37.33 81.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.6 mmmt -66.88 -36.66 82.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.9 mm? -61.07 173.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 5.8 mt-30 -105.02 76.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 44' ' ' GLN . 22.3 m-85 -139.49 175.18 9.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 p -122.73 172.95 8.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' GLU . 5.4 pt-20 -63.93 -19.98 65.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' GLU . 5.0 mm-40 58.51 154.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.86 8.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.36 71.7 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -42.2 -49.59 5.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.75 100.83 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -170.89 122.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.12 -70.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 77.52 133.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.87 140.16 29.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 pt -112.81 143.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 13.8 tp -88.9 153.06 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -154.33 136.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.74 121.29 38.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.37 129.39 71.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -109.93 167.38 10.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 t -66.89 69.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.6 OUTLIER -177.29 -36.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.021 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.74 13.49 6.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 95.98 4.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -90.39 133.95 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 t -129.43 90.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.25 110.81 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.4 mt -81.28 177.32 9.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -137.74 157.57 73.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -4.24 15.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -118.53 47.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.6 -179.34 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.97 -73.1 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.9 p -120.45 101.29 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.1 t -94.73 -66.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CD2' HD12 ' A' ' 10' ' ' ILE . 9.9 m-30 -39.17 -37.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 111.049 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 80' ' ' ALA . 2.4 m -80.54 -52.74 7.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 79' ' ' THR . . . -39.66 -55.49 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -45.11 133.56 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.32 -136.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -105.73 -50.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -101.3 63.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -136.03 130.84 34.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.4 m-70 -113.82 139.52 49.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' TYR . 79.8 mt -87.92 139.54 30.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.437 ' CE2' ' O ' ' A' ' 16' ' ' MET . 13.2 m-85 -127.75 123.87 36.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . . . -112.27 114.14 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.435 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 15.5 p -161.14 174.03 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.8 p -60.97 -171.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -27.15 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -12.79 57.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' ALA . 3.4 m -100.47 -21.91 15.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.558 ' CD2' HG23 ' A' ' 59' ' ' VAL . 2.8 t80 -45.19 -40.89 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.15 -25.03 40.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -73.76 -4.48 34.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 30.7 mt -74.12 145.71 44.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 93.9 t -135.15 142.29 41.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 128.22 11.3 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.533 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -56.77 162.57 3.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -143.83 47.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -118.71 -173.81 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.261 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.38 46.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -124.09 104.38 8.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.2 p 41.24 50.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.3 t -166.06 83.04 1.01 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -43.71 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.455 1.766 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 39.94 65.25 0.95 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.6 t0 58.43 94.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 113' ' ' GLU . 10.3 m -92.24 153.0 19.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.379 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 112' ' ' THR . 8.8 pt-20 178.16 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.8 pt -123.11 133.6 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.6 m -101.28 123.47 45.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.35 98.67 0.12 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.1 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.451 1.763 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 144.07 55.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.8 t -143.65 143.49 31.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.153 . . . . 0.0 111.045 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.29 154.41 44.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -157.05 127.97 6.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.42 112.91 0.86 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.6 114.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -127.99 170.11 13.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.9 -157.58 26.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -125.21 81.84 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' ARG . 4.0 mt-10 -72.77 149.83 43.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 2.0 pt -148.46 176.35 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -120.67 101.59 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.71 153.42 27.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.27 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -137.32 124.63 21.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.459 ' CG1' ' HB1' ' A' ' 89' ' ' ALA . 89.0 t -98.2 100.03 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.5 m-85 -71.32 123.39 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.475 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.2 mmt -75.46 165.84 50.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 16' ' ' MET . 18.4 Cg_endo -74.97 -11.52 21.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 13.58 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CD2' HD23 ' A' ' 101' ' ' LEU . 53.7 m170 66.7 82.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -175.58 85.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -90.08 178.68 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 171.64 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.14 122.65 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -132.75 129.43 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -85.19 110.37 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -132.22 164.12 27.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.464 ' CG ' ' HG3' ' A' ' 9' ' ' GLU . 22.9 mtp180 -105.17 166.76 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -84.46 48.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.19 -178.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 p -130.11 171.94 12.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' HD22 ' A' ' 58' ' ' LEU . 3.1 t -41.35 -49.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -46.77 -56.85 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -47.96 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -42.8 -54.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.73 -50.61 32.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.48 -46.64 93.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -61.74 -50.4 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 42' ' ' LYS . 69.9 t -63.43 -59.01 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 30.9 m -38.23 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.84 -50.21 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.1 mmmt -53.01 -36.8 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 3.2 mm? -60.55 155.0 19.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -101.52 102.78 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -117.59 -54.86 2.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 p 177.89 -176.61 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.042 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.28 68.33 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.223 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 8.8 pt-20 -150.06 136.01 10.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 48' ' ' GLU . 18.4 Cg_endo -74.93 0.86 8.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.52 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.85 -53.59 0.6 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.7 81.14 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.73 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.74 87.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.75 -61.69 1.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.6 p 179.25 127.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt -139.41 140.65 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -120.6 146.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 32' ' ' VAL . 15.9 tp -89.17 152.33 21.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 95' ' ' TYR . 25.5 t -152.57 145.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.38 120.99 43.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.8 t -115.51 132.65 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -110.01 166.52 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.85 69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -177.15 -36.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.59 28.91 2.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.12 95.93 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -88.75 142.72 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.79 99.17 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.5 107.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' CD1' HG11 ' A' ' 77' ' ' VAL . 37.1 mt -80.26 175.95 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -134.66 157.17 77.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.6 p -122.67 48.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -85.13 -178.48 6.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -114.28 -64.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 67.9 m -132.15 102.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG11 ' CD1' ' A' ' 70' ' ' LEU . 32.7 t -94.05 -62.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.558 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 10.2 m-30 -40.95 -30.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 m -90.39 -50.58 5.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -43.71 -52.38 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.47 140.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.63 1.48 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.426 HG23 ' ND2' ' A' ' 84' ' ' ASN . 3.4 mt -77.61 -53.02 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.426 ' ND2' HG23 ' A' ' 83' ' ' ILE . 3.3 m120 -112.39 51.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m -106.96 147.01 30.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -125.34 142.96 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD2' HD23 ' A' ' 81' ' ' LEU . 46.9 mt -89.45 138.75 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.43 ' CE2' ' O ' ' A' ' 16' ' ' MET . 12.1 m-85 -128.88 119.68 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.459 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -108.95 115.96 31.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.4 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 17.0 p -157.68 173.92 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 108.337 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -67.85 168.06 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -13.55 62.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.55 -10.11 25.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m -105.84 -14.49 15.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.572 ' CD2' HG22 ' A' ' 59' ' ' VAL . 4.2 t80 -55.82 -36.23 67.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.65 -8.02 59.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.16 16.01 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 32.8 mt -89.43 149.38 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 77.9 t -137.83 142.86 37.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 139.65 24.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -64.35 162.83 29.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -164.64 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -126.84 129.09 47.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -141.2 -170.65 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.18 53.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.33 109.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.43 110.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.3 m 64.5 137.23 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 68.06 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.39 -138.3 2.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -102.28 116.83 33.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.75 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.2 t -153.89 166.77 31.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.92 161.75 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 mp -47.07 110.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.25 123.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 168.18 81.2 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.37 3.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.82 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.1 p 39.72 89.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 t -103.89 -57.82 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -95.88 -58.16 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.52 101.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.35 77.91 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.118 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -56.79 -62.68 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 110.049 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 p -72.77 149.86 43.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 173.56 41.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -141.24 79.71 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -61.87 145.4 52.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.711 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 1.6 pt -145.37 175.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 88.7 m-85 -116.54 101.07 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -98.62 157.07 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.319 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -134.47 158.63 43.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 76.6 t -132.25 99.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.635 ' CD1' ' CB ' ' A' ' 21' ' ' TYR . 4.3 m-85 -67.6 157.75 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.9 mmt -106.16 166.52 11.09 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.96 -11.33 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.08 15.83 26.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.5 m170 66.88 80.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.01 103.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 15' ' ' TYR . 15.1 p90 -110.76 171.63 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 22.4 m -136.98 168.41 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.86 130.27 55.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pt -135.76 143.97 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.2 ttt180 -98.03 114.03 26.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -132.15 169.05 16.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.98 147.09 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.38 -16.6 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -100.45 29.59 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.69 -179.35 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' VAL . 11.3 m -133.15 158.54 42.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 58' ' ' LEU . 2.7 t -39.67 -47.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -50.78 -60.4 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -42.73 -63.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' LEU . 3.0 mt -48.53 -59.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' ILE . 12.3 mt -39.84 -67.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.78 -50.1 5.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -60.16 -37.17 79.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.043 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 43' ' ' LEU . 71.9 t -72.49 -54.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -41.92 -35.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -45.19 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.3 mmmt -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.2 mm? -55.18 162.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -108.05 72.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -119.0 100.59 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 t -160.67 -59.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.56 56.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -126.61 162.87 44.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 2.3 6.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.68 80.36 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.74 -53.49 30.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.19 97.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -171.52 97.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -162.9 93.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.97 122.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -126.12 137.82 53.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -106.4 148.98 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 32' ' ' VAL . 6.8 tp -88.82 149.31 23.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.568 HG21 ' CD2' ' A' ' 95' ' ' TYR . 48.0 t -152.61 137.84 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.7 121.22 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.3 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' SER . 1.8 m -108.93 169.1 8.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 68.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.6 t -174.82 -38.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.92 3.71 8.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.66 97.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -90.92 143.24 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 t -138.88 99.64 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 111.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -85.0 178.69 7.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -134.19 154.44 80.05 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.39 9.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -118.41 43.98 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.04 -178.29 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -127.64 -69.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.5 m -111.86 94.36 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 79' ' ' THR . 21.7 t -95.09 -62.86 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.711 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 11.6 m-30 -42.63 -27.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' VAL . 1.9 m -85.13 -57.91 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.46 5.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.21 130.68 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.08 -145.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.59 -52.67 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -101.06 61.49 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -123.66 133.6 53.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -114.34 133.22 55.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' TYR . 54.6 mt -88.23 110.19 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.469 ' CZ ' ' O ' ' A' ' 99' ' ' VAL . 13.8 m-85 -98.86 124.05 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.05 115.3 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 98' ' ' LEU . 13.9 p -161.91 173.81 13.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 71.9 p -67.51 -177.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.83 51.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -10.65 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 97' ' ' ALA . 18.2 m -106.63 -18.93 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.955 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.568 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.5 t80 -47.24 -41.56 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.76 -21.6 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.75 -1.9 30.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.5 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 32.7 mt -75.13 144.8 42.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.469 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 85.2 t -130.8 141.82 43.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 134.79 18.22 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -65.02 161.88 43.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.11 174.08 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.77 143.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.8 mm -96.81 43.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.52 62.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.0 m -100.32 -173.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER 166.42 -53.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.98 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.15 -64.53 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -118.04 119.27 34.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.2 t -95.9 163.09 13.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.5 168.71 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.5 mt -97.88 -63.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.4 142.32 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -158.56 101.94 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.51 8.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.552 1.817 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 p 62.73 107.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.1 m -62.98 85.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.7 121.56 45.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -139.63 134.83 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.01 -172.61 29.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -168.77 106.24 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -111.54 125.32 53.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.29 107.61 0.71 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' CB ' HD11 ' A' ' 28' ' ' LEU . 2.1 m-20 -118.22 67.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.9 mt-10 -71.07 150.6 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.615 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 4.6 pt -150.89 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -114.33 101.65 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.16 149.67 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -136.76 119.78 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG11 ' CE ' ' A' ' 16' ' ' MET . 81.0 t -97.42 101.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 41.1 m-85 -75.29 119.31 19.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.47 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 35.5 mmt -70.17 164.02 56.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.4 Cg_endo -74.99 5.18 4.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.31 11.34 9.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.426 ' NE2' HD23 ' A' ' 101' ' ' LEU . 51.1 m170 66.75 83.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 t -175.76 77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -86.95 177.6 7.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.07 173.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -111.52 122.53 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.05 128.92 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -87.34 109.82 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 47.0 t -132.17 169.26 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -101.04 160.48 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD11 ' CB ' ' A' ' 8' ' ' ASP . 3.4 mt -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ALA . 8.1 t -67.34 -43.43 81.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -39.98 129.14 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 p -92.66 162.62 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 t -39.99 -43.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -54.87 -52.67 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.34 -70.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 2.5 mp -42.06 -55.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.0 mt -45.37 -45.26 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.43 -47.99 66.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.55 -43.0 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.016 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.7 t -69.93 -51.54 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 17.5 m -45.75 -24.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' O ' ' OH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -74.14 -35.57 64.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' VAL . 10.8 mmmt -69.1 -36.96 78.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 3.6 mm? -57.73 168.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -102.92 106.18 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CE1' ' O ' ' A' ' 40' ' ' THR . 0.5 OUTLIER -120.03 86.99 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -113.05 -179.34 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.47 62.72 6.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -98.94 153.11 37.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.42 7.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.782 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.27 59.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.18 58.16 0.71 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -76.27 100.03 4.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.4 126.78 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.81 -49.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 p 173.71 132.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.88 128.84 54.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pt -113.42 142.62 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.445 ' CD2' HD12 ' A' ' 70' ' ' LEU . 7.8 tp -89.27 153.08 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.561 HG23 ' CD2' ' A' ' 95' ' ' TYR . 58.7 t -154.72 130.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.88 121.51 36.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.86 138.38 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -117.72 170.37 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 p -56.15 -19.85 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.8 p -92.31 11.65 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.06 64.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.22 99.88 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -85.05 141.05 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.18 96.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 109.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 58' ' ' LEU . 21.7 mt -82.55 175.23 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -135.99 156.86 76.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.56 18.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 p -114.41 44.38 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -84.98 -179.72 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -120.1 -69.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -119.3 97.97 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 108.328 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' A' ' 79' ' ' THR . 40.5 t -94.83 -64.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 10.0 m-30 -39.96 -28.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 77' ' ' VAL . 3.2 m -87.3 -55.85 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' THR . . . -39.62 -45.22 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.98 143.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -160.34 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.93 -47.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -122.62 50.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -105.47 142.69 34.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -121.44 143.85 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.576 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 81' ' ' LEU . 91.7 mt -88.2 147.91 24.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 8.6 m-85 -137.19 127.25 25.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.5 113.41 20.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.522 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 23.8 p -162.8 176.64 10.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.264 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.3 p -57.06 162.65 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -65.35 -39.93 92.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -9.44 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 29.4 m -100.97 -9.99 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.069 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CD2' HG23 ' A' ' 59' ' ' VAL . 4.2 t80 -60.18 -38.11 82.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -82.39 -6.22 59.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.6 5.1 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.439 ' CD2' ' SG ' ' A' ' 90' ' ' CYS . 63.3 mt -73.32 133.39 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 61.9 t -123.79 138.99 31.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 131.88 14.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -57.76 163.31 4.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.0 41.37 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -117.82 -169.25 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.2 44.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.517 ' O ' ' C ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -122.62 103.28 8.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 106' ' ' GLN . 5.5 p 31.11 58.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -175.15 153.45 1.56 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.63 -61.92 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.406 ' O ' ' CG2' ' A' ' 112' ' ' THR . 0.7 OUTLIER 53.65 100.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 113' ' ' GLU . 9.0 t 45.11 -169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' N ' ' OG1' ' A' ' 112' ' ' THR . 2.4 tp10 178.02 160.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.51 124.73 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 m -158.87 -59.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 111.14 -143.99 17.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 111.17 3.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.77 163.84 14.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.85 134.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -116.69 -59.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 53.87 95.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.89 159.82 13.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.107 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.95 -61.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 142.83 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.64 109.91 0.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -131.06 65.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -89.1 152.61 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 78' ' ' PHE . 2.1 pt -150.93 164.4 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.35 101.63 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 133.44 36.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.47 121.52 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' CG2' ' CG2' ' A' ' 39' ' ' VAL . 53.0 t -97.2 100.15 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.4 m-85 -68.99 154.25 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.448 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.6 mmt -107.8 164.26 15.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HG3' ' CB ' ' A' ' 90' ' ' CYS . 18.2 Cg_endo -75.01 4.96 4.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.49 13.52 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' CD2' HD22 ' A' ' 101' ' ' LEU . 23.1 m170 66.64 76.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.622 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -176.4 102.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -99.98 178.59 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.5 m -134.46 173.44 14.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -117.3 118.61 32.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.6 pt -125.08 -177.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -136.72 111.53 8.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -132.01 169.37 16.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -95.23 149.82 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.08 -16.96 49.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.27 25.75 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.47 178.23 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -127.05 162.56 25.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 58' ' ' LEU . 3.0 t -43.54 -47.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -48.77 -61.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.12 -57.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 78' ' ' PHE . 3.4 mt -53.7 -60.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.3 mt -41.13 -60.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.75 -43.48 22.6 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -66.71 -50.7 61.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.96 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 42' ' ' LYS . 85.2 t -59.62 -57.68 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' VAL . 5.6 m -36.02 -38.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.33 -49.99 73.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 39' ' ' VAL . 17.0 mmmt -52.22 -40.01 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD21 ' O ' ' A' ' 39' ' ' VAL . 3.2 mm? -58.49 163.38 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.88 104.66 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -117.46 121.49 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.3 m -101.75 174.9 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.18 80.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -133.81 161.57 62.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.45 7.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.73 87.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.48 -48.99 40.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -99.63 -50.94 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 117.12 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -162.49 90.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 61.0 m 64.9 127.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt -110.07 137.14 48.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -118.0 139.45 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 32' ' ' VAL . 12.1 tp -89.14 154.93 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 95' ' ' TYR . 65.4 t -155.23 132.6 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.71 121.47 37.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.6 t -118.24 134.46 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 165.54 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.28 66.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -173.4 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.13 39.69 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.86 96.42 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -88.63 138.13 31.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.5 t -133.85 89.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.88 112.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.4 mt -88.08 177.79 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.22 155.92 79.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.24 9.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.443 1.76 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 p -118.83 43.35 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.16 -177.7 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.71 -72.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.8 m -105.45 94.39 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.04 -69.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 9.9 m-30 -45.77 -24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -89.17 -53.6 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.36 -49.51 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.24 132.53 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.33 -153.56 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.3 mt -91.73 -57.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' H ' ' ND2' ' A' ' 84' ' ' ASN . 2.0 p30 -98.14 61.15 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.9 m -130.51 122.7 28.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.9 m-70 -103.42 138.11 40.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.564 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' TYR . 29.2 mt -88.13 126.09 34.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.36 119.32 36.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.13 113.72 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.532 ' CB ' ' HG3' ' A' ' 17' ' ' PRO . 12.4 p -162.71 176.56 10.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.4 p -56.29 175.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -32.96 48.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -0.38 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.43 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 9.4 m -115.07 -1.87 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -64.31 -37.73 88.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.2 -13.46 59.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.54 -3.98 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 mt -69.32 135.57 50.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 100' ' ' PRO . 94.1 t -129.97 142.49 45.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.08 129.11 11.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -58.88 162.02 7.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.42 71.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -118.44 -172.62 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.1 40.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.35 119.12 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t 58.59 58.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.8 p -178.73 147.41 0.54 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -76.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.05 -96.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.48 85.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.9 m 54.46 92.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.44 110.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.2 mt 64.57 125.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 t -68.67 -46.22 69.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.88 91.2 1.86 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 60.76 5.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.7 p 53.75 174.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.78 -72.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.71 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -144.78 175.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.69 101.44 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.5 t -78.22 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -134.02 123.01 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.947 ' CG2' HG21 ' A' ' 39' ' ' VAL . 49.4 t -99.68 101.7 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 48.0 m-85 -69.51 127.14 31.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 28.1 mmt -80.1 165.18 48.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.728 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -13.19 21.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.43 13.4 31.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 m170 66.49 79.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.87 87.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.014 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -86.38 178.78 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.63 169.88 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -112.13 110.18 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 35' ' ' ILE . 1.3 pt -122.89 136.77 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -91.21 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -131.97 168.29 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.94 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.7 26.51 2.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -143.23 18.44 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.8 -163.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 p -146.64 165.4 29.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.3 -48.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 16.4 pt20 -59.51 -48.57 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 15.2 t0 -51.26 -60.65 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.525 HG23 HD11 ' A' ' 24' ' ' ILE . 5.5 mt -50.09 -58.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ILE . 28.0 mt -39.98 -59.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.73 -45.63 24.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 m -64.0 -60.95 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 ' CG2' ' A' ' 14' ' ' VAL . 78.6 t -51.52 -50.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.6 m -43.56 -39.51 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -39.78 95.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.23 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mmtt -63.72 -36.96 85.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.8 pt -113.88 143.78 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.738 HD21 HD13 ' A' ' 87' ' ' LEU . 11.8 tp -88.58 153.39 21.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' A' ' 95' ' ' TYR . 57.7 t -155.32 135.51 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.64 121.07 35.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' HIS . 84.4 t -118.67 130.35 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -111.3 168.24 9.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -66.94 70.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.1 t -176.08 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.63 13.0 7.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.82 95.95 5.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -89.55 140.31 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.77 91.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.73 111.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.08 -179.45 7.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -131.77 155.84 80.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.01 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -115.71 46.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -87.62 -175.39 5.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -133.12 -72.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 93.9 m -108.07 97.92 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.02 -70.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.8 m-30 -38.64 -31.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -85.35 -49.15 8.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -47.84 -51.18 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 85' ' ' SER . 0.2 OUTLIER -52.04 124.57 13.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . -59.75 -141.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.76 -57.27 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.01 52.38 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.525 ' HB2' HD13 ' A' ' 81' ' ' LEU . 31.9 p -124.94 148.98 48.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -137.38 138.69 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.738 HD13 HD21 ' A' ' 58' ' ' LEU . 48.3 mt -88.0 135.75 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.602 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.0 m-85 -126.56 124.78 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.472 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -111.29 114.16 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.968 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.3 p -160.85 173.99 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.8 p -61.5 -175.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -32.42 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.48 -11.66 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 m -98.52 -21.46 16.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.3 t80 -45.17 -41.55 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -75.62 -38.9 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.968 HD21 ' SG ' ' A' ' 90' ' ' CYS . 60.8 mt -59.19 143.48 48.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 100' ' ' PRO . 80.5 t -132.86 142.66 45.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.79 163.32 1.14 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.677 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -149.26 177.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -115.83 101.19 8.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.485 ' SG ' HD12 ' A' ' 87' ' ' LEU . 7.5 t -78.02 142.26 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.57 ' CG ' ' CE2' ' A' ' 21' ' ' TYR . 1.3 mpt_? -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.833 ' CG2' HG21 ' A' ' 39' ' ' VAL . 12.7 t -90.21 100.76 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.563 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 9.6 m-85 -70.24 127.1 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -76.43 165.26 54.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 3.88 5.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.565 1.824 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -122.23 13.06 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m170 66.15 70.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -169.01 87.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' ' CG ' ' A' ' 13' ' ' ARG . 8.8 p90 -86.29 178.99 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.07 158.08 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -96.8 124.95 40.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.406 HG21 ' CG2' ' A' ' 39' ' ' VAL . 2.5 pt -128.39 -179.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -135.9 108.27 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -132.21 168.43 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -90.78 157.11 17.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -68.0 -23.84 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 23.63 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 -178.51 6.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 p -128.04 167.66 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.681 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.6 t -48.85 -48.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -49.49 -60.27 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -40.29 -57.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 78' ' ' PHE . 4.2 mt -53.66 -59.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 mt -45.8 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.09 -45.43 7.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.7 m -67.17 -68.11 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.943 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.833 HG21 ' CG2' ' A' ' 14' ' ' VAL . 40.7 t -41.35 -45.73 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -43.72 -41.59 4.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 2.7 mm-40 -60.43 -39.21 86.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' VAL . 25.7 mmmt -64.74 -37.04 86.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.507 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 1.9 pt -120.57 147.04 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.681 ' CD2' HG22 ' A' ' 32' ' ' VAL . 14.0 tp -89.82 149.25 22.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 95' ' ' TYR . 39.4 t -151.16 132.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.75 121.26 38.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' ' 100' ' ' PRO . 38.9 t -115.96 135.93 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.89 167.15 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m -70.98 66.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -173.43 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.61 39.87 0.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -107.31 96.77 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -87.11 143.98 27.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.3 t -140.0 90.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.36 110.36 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 70' ' ' LEU . 24.4 mt -82.43 176.38 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.53 153.25 77.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 p -116.67 40.39 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.54 -176.1 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 13.2 t0 -132.79 -71.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 94.6 m -106.86 96.82 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 108.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' THR . 37.6 t -95.24 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.0 m-30 -38.18 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.1 m -84.3 -52.12 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -50.31 -45.02 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.56 143.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.05 -166.49 17.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.56 -50.38 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.8 57.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 56.7 m -121.65 130.27 53.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -109.09 143.35 38.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.574 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 81' ' ' LEU . 36.7 mt -87.71 120.57 29.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 98' ' ' LEU . 10.7 m-85 -112.74 125.24 54.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -120.97 114.01 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.998 ' SG ' HD21 ' A' ' 98' ' ' LEU . 8.1 p -157.12 176.23 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.6 p -65.51 154.87 37.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -31.68 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -0.84 33.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.433 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 7.8 m -119.48 -5.83 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.4 t80 -59.97 -40.26 88.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.36 -12.86 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.59 -3.94 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.998 HD21 ' SG ' ' A' ' 90' ' ' CYS . 51.9 mt -69.51 146.92 51.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.718 HG13 ' HD2' ' A' ' 100' ' ' PRO . 60.5 t -138.95 143.48 37.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.718 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.97 133.69 16.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -56.22 161.99 3.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.805 HD11 ' CD2' ' A' ' 78' ' ' PHE . 5.3 pt -145.68 176.57 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 63.4 m-85 -111.89 101.42 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.8 t -83.66 150.11 26.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -136.76 114.51 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 39' ' ' VAL . 98.1 t -89.47 106.15 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 17.9 m-85 -73.25 120.64 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.486 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 28.5 mmt -73.08 166.42 43.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.796 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.99 -11.24 21.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -106.02 10.57 32.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 62.5 m170 67.59 82.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.94 85.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 32.4 p90 -87.0 178.73 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.571 HG11 ' HB3' ' A' ' 42' ' ' LYS . 35.0 m -135.01 172.86 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -111.03 111.1 21.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.898 HG22 ' HE2' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -125.51 138.76 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.2 ttm180 -96.57 116.59 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -132.2 167.73 19.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.56 144.89 24.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.0 mt -61.29 -16.49 46.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.84 27.46 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.88 174.9 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.3 m -120.04 172.8 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.57 -50.22 41.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -48.78 -60.56 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.14 -59.27 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 24' ' ' ILE . 5.2 mt -49.8 -60.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ILE . 21.2 mt -39.98 -56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.01 -44.47 25.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' HD13 ' A' ' 24' ' ' ILE . 7.4 m -69.29 -50.2 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 14' ' ' VAL . 46.0 t -56.55 -53.68 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.501 ' HA ' HD23 ' A' ' 43' ' ' LEU . 40.5 m -33.51 -55.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.84 -53.0 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.898 ' HE2' HG22 ' A' ' 24' ' ' ILE . 11.6 mptt -50.5 -41.05 52.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD21 HG12 ' A' ' 39' ' ' VAL . 2.8 mm? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.6 pt -116.8 143.0 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 89' ' ' ALA . 6.4 tp -88.94 146.06 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.589 HG21 ' CD2' ' A' ' 95' ' ' TYR . 47.1 t -146.67 139.72 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.85 121.06 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.4 t -115.26 135.3 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.71 165.92 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.46 67.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.41 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.81 35.5 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.49 95.89 7.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.767 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -88.73 138.92 30.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 68' ' ' VAL . 16.3 t -137.83 88.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.51 110.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.6 mt -79.82 -179.86 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -134.72 154.68 79.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.07 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p -117.5 43.05 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -85.37 -175.3 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -130.6 -70.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 74.7 m -112.19 97.38 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.86 -64.75 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.805 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.8 m-30 -42.01 -28.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 m -90.39 -51.23 5.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -45.43 -44.81 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -43.48 140.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.74 -153.76 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.54 -56.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -109.93 45.97 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -105.99 128.15 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -108.85 146.74 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 81' ' ' LEU . 12.6 mt -88.15 137.92 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.587 ' HD2' HD22 ' A' ' 98' ' ' LEU . 11.3 m-85 -129.02 121.96 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.831 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -111.13 114.69 28.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.876 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.6 p -159.27 173.88 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.7 p -67.78 177.09 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -77.67 -15.58 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -9.37 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ALA . 1.3 m -110.75 -19.88 12.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.589 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.1 t80 -43.57 -44.68 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.31 -28.33 56.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -70.53 -7.71 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.876 HD21 ' SG ' ' A' ' 90' ' ' CYS . 53.5 mt -68.12 150.48 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 100' ' ' PRO . 79.2 t -139.46 143.57 36.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -51.1 163.48 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.1 pt -147.55 176.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -117.46 101.3 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 2.0 t -79.77 146.43 32.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -136.39 119.27 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.888 ' CG2' HG21 ' A' ' 39' ' ' VAL . 47.3 t -95.59 106.11 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 30.0 m-85 -75.78 122.16 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 34.7 mmt -72.96 164.28 62.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.628 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.95 4.49 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.84 11.43 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CD2' HD22 ' A' ' 101' ' ' LEU . 58.8 m170 66.91 82.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -175.97 80.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -86.92 178.31 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.03 168.82 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.61 116.96 32.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.68 135.86 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.88 110.95 20.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -131.9 164.41 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -103.43 173.0 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 HD23 ' HB2' ' A' ' 78' ' ' PHE . 17.9 mt -90.66 39.99 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' ALA . 45.0 m -134.54 -44.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -49.15 176.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -124.42 178.34 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.598 HG23 HG21 ' A' ' 77' ' ' VAL . 3.0 t -50.04 -56.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 20.2 pt20 -42.01 -47.25 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -54.78 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.485 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.8 mp -47.68 -54.41 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.9 mt -44.78 -53.64 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.3 -50.46 66.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -58.08 -52.75 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.888 HG21 ' CG2' ' A' ' 14' ' ' VAL . 48.2 t -59.86 -50.49 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 m -47.35 -27.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -35.52 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.2 mmmt -70.52 -34.95 72.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.3 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.475 ' HB ' HD21 ' A' ' 69' ' ' LEU . 1.3 pt -133.91 139.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 89' ' ' ALA . 9.3 tp -88.58 143.81 26.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.503 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -144.3 135.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 121.39 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 85' ' ' SER . 41.9 t -115.39 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.7 t -107.68 164.16 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -22.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 27.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 44.52 40.87 6.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -92.0 97.64 11.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -86.51 130.38 34.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.59 94.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD21 ' HB ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -53.73 103.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.6 172.87 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -131.18 156.13 80.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.09 14.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 47.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -86.07 -178.78 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -114.16 -61.11 1.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 79.2 m -133.0 104.99 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.598 HG21 HG23 ' A' ' 32' ' ' VAL . 40.6 t -94.84 -64.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.703 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.4 m-30 -39.71 -35.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 m -84.09 -52.65 6.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -45.97 -48.58 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.846 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.99 128.83 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.98 -161.23 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.75 -61.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.357 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -99.82 48.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m -113.17 134.08 54.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.8 m-70 -118.34 146.4 44.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.138 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.846 HD21 HD21 ' A' ' 81' ' ' LEU . 74.4 mt -88.03 125.22 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' VAL . 9.0 m-85 -118.22 124.92 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -119.51 113.97 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.877 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.8 p -162.6 176.89 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.0 p -61.28 155.05 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 3.7 mtm180 -63.26 -25.07 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -5.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.415 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.2 m -113.75 -15.08 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.8 t80 -47.98 -40.97 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.35 -23.63 43.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.52 -5.58 56.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.877 HD21 ' SG ' ' A' ' 90' ' ' CYS . 75.9 mt -62.84 140.15 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.668 HG13 ' HD2' ' A' ' 100' ' ' PRO . 72.4 t -133.4 142.77 45.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.668 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.02 132.16 15.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -51.49 162.86 0.64 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.1 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.71 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -150.33 177.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 m-85 -113.41 101.44 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -80.87 144.15 32.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -118.96 119.8 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 39' ' ' VAL . 87.6 t -108.35 99.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 10.7 m-85 -73.11 158.14 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.4 mmt -107.06 164.29 15.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.96 4.67 4.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -119.06 15.81 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 66.93 74.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -175.51 114.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 14.5 p90 -113.66 176.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.93 171.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 m -114.59 113.25 24.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.862 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -127.21 134.03 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 11.7 ttp180 -95.82 111.04 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.503 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 25.8 t -131.78 169.22 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -89.81 158.48 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.3 mt -65.61 -12.22 51.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 p -85.62 -29.96 23.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -58.27 126.97 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -93.7 175.73 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.625 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.0 t -40.59 -52.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -49.46 -57.1 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 10.0 m-20 -46.79 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.862 HG23 HD11 ' A' ' 24' ' ' ILE . 3.7 mt -41.54 -57.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.1 mt -40.25 -48.24 2.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.68 -50.74 63.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.508 ' HB2' HD13 ' A' ' 24' ' ' ILE . 73.4 m -58.56 -46.83 86.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 0.793 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 14' ' ' VAL . 25.2 t -57.89 -57.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.554 ' HA ' HD23 ' A' ' 43' ' ' LEU . 23.3 m -32.64 -53.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -43.52 -58.71 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -45.26 -41.7 8.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 40' ' ' THR . 2.6 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 ' CD ' ' A' ' 92' ' ' ARG . 3.8 pt -118.01 144.32 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 89' ' ' ALA . 8.4 tp -90.94 151.39 21.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG21 ' CD2' ' A' ' 95' ' ' TYR . 46.7 t -153.63 136.63 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.35 121.65 40.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 100' ' ' PRO . 52.6 t -119.62 134.54 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 2.3 t -114.8 168.37 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 69.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t -174.84 -38.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.67 9.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.81 100.36 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -92.17 145.38 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.2 t -141.45 95.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.24 111.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.8 mt -82.71 176.28 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -130.39 156.01 80.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -9.11 20.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 p -111.96 47.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.72 -178.6 6.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.11 -71.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.0 m -118.28 100.94 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 t -93.89 -60.38 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 10' ' ' ILE . 12.6 m-30 -42.07 -30.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -88.95 -51.83 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.87 -43.29 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.885 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.89 145.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.1 -170.06 13.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.86 -49.48 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -120.58 51.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 138.69 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 5.1 m-70 -113.22 142.32 45.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.556 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.885 HD21 HD21 ' A' ' 81' ' ' LEU . 54.1 mt -87.76 115.58 25.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.487 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.5 m-85 -105.41 118.58 36.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.758 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -114.33 113.25 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.913 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -163.12 176.98 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.7 p -54.28 169.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.413 ' CD ' HD13 ' A' ' 57' ' ' ILE . 5.0 mmm180 -72.62 -43.86 62.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -10.21 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.421 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 21.3 m -98.83 -9.31 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.491 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.3 t80 -59.0 -37.34 76.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.49 -10.71 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.22 11.23 37.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 ' SG ' ' A' ' 90' ' ' CYS . 47.9 mt -83.64 127.42 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 100' ' ' PRO . 54.0 t -117.75 141.4 28.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.543 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.03 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.69 163.0 1.16 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 27' ' ' ARG . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.68 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -142.74 178.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 47.5 m-85 -118.51 101.53 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 3.8 t -80.39 151.75 29.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -137.31 126.73 24.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.871 ' CG2' HG21 ' A' ' 39' ' ' VAL . 56.0 t -103.05 107.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CB ' ' CE1' ' A' ' 88' ' ' PHE . 53.3 m-85 -77.57 121.74 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.513 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 32.2 mmt -73.45 165.1 56.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.781 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.97 -12.69 21.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.89 11.56 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CD2' HD22 ' A' ' 101' ' ' LEU . 59.6 m170 66.9 84.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.83 81.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.9 p90 -86.91 174.29 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.13 171.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.35 118.93 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.55 HD11 HG23 ' A' ' 35' ' ' ILE . 1.3 pt -127.82 133.59 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -83.71 109.06 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -132.16 153.45 50.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 9' ' ' GLU . 4.1 mtt180 -103.12 169.52 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -75.41 55.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -152.46 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.76 135.42 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 p -95.17 170.68 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG22 HD23 ' A' ' 58' ' ' LEU . 3.0 t -40.34 -48.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.41 -55.8 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.568 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.1 m-20 -48.9 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.55 HG23 HD11 ' A' ' 24' ' ' ILE . 3.3 mt -44.19 -61.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 58' ' ' LEU . 14.1 mt -40.65 -44.54 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.33 -55.23 22.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m -56.07 -39.06 71.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.871 HG21 ' CG2' ' A' ' 14' ' ' VAL . 31.3 t -70.5 -52.43 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.2 m -45.14 -25.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.48 -41.52 65.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.2 mmmt -64.43 -36.48 84.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD12 HD21 ' A' ' 69' ' ' LEU . 8.1 pt -116.08 145.95 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 HG22 ' A' ' 32' ' ' VAL . 10.6 tp -88.91 146.77 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -148.19 134.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.63 121.6 39.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.633 HG12 ' HB3' ' A' ' 100' ' ' PRO . 61.2 t -113.51 138.04 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.79 169.52 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.6 p -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.3 p -91.75 -1.01 57.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.45 17.38 79.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.27 101.43 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -86.73 135.61 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -135.05 94.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.445 HD21 HD12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -53.91 110.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 87' ' ' LEU . 32.9 mt -78.97 178.07 8.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -137.68 157.42 73.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.09 12.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.8 p -116.66 45.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -87.18 179.35 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -109.43 -66.61 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.6 m -142.11 102.04 4.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 81' ' ' LEU . 8.0 t -84.8 -45.26 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.4 m-30 -45.51 -36.0 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -90.35 -46.92 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.61 -45.02 27.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.89 HD21 HD21 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -39.66 136.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.68 -156.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.67 -51.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -118.09 52.49 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -111.31 149.02 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -127.81 145.45 50.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.89 HD21 HD21 ' A' ' 81' ' ' LEU . 27.9 mt -88.08 142.48 27.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CB ' ' A' ' 15' ' ' TYR . 8.5 m-85 -135.13 124.45 24.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.16 114.62 28.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.979 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -160.97 173.8 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.5 p -69.02 -179.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -40.48 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -10.46 59.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -105.12 -17.83 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.522 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.4 t80 -52.79 -43.02 65.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -77.73 -14.43 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.14 3.51 53.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.979 HD21 ' SG ' ' A' ' 90' ' ' CYS . 73.2 mt -75.09 150.74 38.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.517 HG13 ' HD2' ' A' ' 100' ' ' PRO . 47.0 t -144.21 141.48 18.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.633 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.3 Cg_endo -75.02 140.51 25.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -53.79 161.34 1.72 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CD ' ' NH1' ' A' ' 27' ' ' ARG . 9.5 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.808 HD11 ' CD2' ' A' ' 78' ' ' PHE . 3.2 pt -151.04 176.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 36.1 m-85 -111.27 101.29 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 7.8 t -80.65 147.3 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -126.78 128.05 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.979 ' CG2' HG21 ' A' ' 39' ' ' VAL . 45.8 t -111.16 101.38 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 10.5 m-85 -72.19 149.8 44.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.461 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 28.4 mmt -98.42 166.13 13.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.741 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 -12.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.92 16.95 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.401 ' CD2' HD22 ' A' ' 101' ' ' LEU . 35.5 m170 66.77 79.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.26 103.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -103.61 178.8 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 m -135.88 173.37 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -116.43 119.49 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 38' ' ' SER . 1.0 OUTLIER -133.95 134.99 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -91.28 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.504 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 46.0 t -132.21 168.38 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 9' ' ' GLU . 6.9 mtm-85 -98.18 150.89 21.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD23 ' HB2' ' A' ' 78' ' ' PHE . 2.4 mt -55.82 -24.45 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 t -75.68 -34.39 60.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -47.46 138.85 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -99.18 167.11 10.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.7 t -40.15 -48.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -49.24 -61.0 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.619 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -40.43 -58.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.95 -46.36 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.97 92.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.642 ' HB2' HD13 ' A' ' 24' ' ' ILE . 25.8 m -63.51 -47.92 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.979 HG21 ' CG2' ' A' ' 14' ' ' VAL . 89.0 t -63.59 -52.8 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.7 m -41.87 -37.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.74 -44.22 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.9 mmmt -59.33 -38.28 79.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 90' ' ' CYS . 4.1 pt -117.17 143.89 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.0 tp -89.05 149.43 23.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -153.98 133.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.14 121.4 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.3 t -117.46 136.47 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 169.36 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.21 69.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.96 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.21 25.84 2.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.45 95.73 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -89.98 134.96 33.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 68' ' ' VAL . 37.9 t -130.64 87.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.67 109.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.0 -179.15 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -140.66 158.2 66.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.19 12.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.9 p -119.91 48.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -86.39 -175.02 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -121.66 -67.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 2.4 p -124.52 100.45 6.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.0 t -94.73 -66.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.808 ' CD2' HD11 ' A' ' 10' ' ' ILE . 12.4 m-30 -38.43 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . 2.1 m -89.08 -58.57 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -41.05 -43.48 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.852 HD11 ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -44.75 132.08 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.79 -164.3 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 mm -82.11 -49.01 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -115.61 55.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -115.83 132.9 56.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.2 m-70 -111.17 140.74 45.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.598 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.852 ' HG ' HD11 ' A' ' 81' ' ' LEU . 50.4 mt -88.24 131.28 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.658 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.7 m-85 -117.29 125.14 50.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.28 114.12 27.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.912 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -162.88 173.94 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -65.55 -178.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.87 -32.34 51.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -0.88 42.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 m -114.41 -14.43 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.516 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.9 t80 -48.87 -43.89 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.96 -26.9 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.14 -8.37 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.912 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.6 mt -73.4 143.64 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 100' ' ' PRO . 76.1 t -131.16 143.19 48.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.95 129.83 12.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -59.81 162.18 10.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 0.0 110.978 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -146.94 177.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.43 101.5 8.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' HD11 ' A' ' 24' ' ' ILE . 46.1 t -74.03 152.17 40.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -132.71 113.75 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 39' ' ' VAL . 32.6 t -99.32 100.57 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 20.9 m-85 -75.26 123.74 25.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.477 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.1 mmt -73.38 166.47 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.771 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.04 -11.3 21.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -106.87 11.79 29.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.2 m170 67.28 81.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.01 82.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 6.2 p90 -86.85 176.83 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.2 m -135.23 173.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.445 ' OG1' ' NH1' ' A' ' 13' ' ' ARG . 2.2 m -111.61 118.64 36.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.526 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -130.76 132.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -91.5 111.4 22.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -132.15 165.8 23.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.76 173.37 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.2 45.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -146.16 -45.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.895 ' HB1' ' HB3' ' A' ' 34' ' ' ASP . . . -40.1 122.63 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -73.36 173.91 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.656 HG22 HD23 ' A' ' 58' ' ' LEU . 2.3 t -48.19 -50.86 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 9.1 pt20 -57.16 -46.19 82.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.895 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -51.83 -59.15 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 24' ' ' ILE . 5.6 mt -51.88 -55.27 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.2 mt -40.54 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.11 -44.29 63.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' ILE . 70.9 m -67.44 -46.66 72.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 109.968 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 14' ' ' VAL . 61.0 t -62.46 -58.38 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -38.95 -35.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -50.35 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.07 -38.7 68.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 43' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -126.3 149.32 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 32' ' ' VAL . 13.8 tp -88.16 149.79 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 95' ' ' TYR . 53.9 t -152.72 146.52 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.36 121.01 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 100' ' ' PRO . 26.2 t -116.91 134.46 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -106.6 163.92 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.15 67.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 m -174.2 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.42 38.27 0.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.17 97.6 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -89.41 139.67 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 68' ' ' VAL . 27.4 t -134.86 88.82 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.51 111.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB3' HG21 ' A' ' 32' ' ' VAL . 42.6 mt -83.29 175.96 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -130.62 154.85 81.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.2 p -118.66 42.82 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -84.5 -176.24 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -121.21 -64.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 96.2 m -127.4 104.96 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -94.37 -60.34 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.742 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.4 m-30 -40.69 -28.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -89.01 -48.83 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -45.4 -52.46 10.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD21 HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -40.13 136.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.81 -161.51 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.48 -57.52 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -104.38 53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -121.3 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -120.43 146.21 46.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.76 HD21 HD21 ' A' ' 81' ' ' LEU . 43.2 mt -88.11 144.03 26.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.499 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.9 m-85 -132.79 120.32 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.72 114.38 28.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.976 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.2 p -161.48 174.0 14.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.337 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -77.73 168.25 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -41.03 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -7.72 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.9 m -107.85 -25.82 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.043 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -48.01 -44.09 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -75.72 -20.36 58.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.24 8.48 21.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.976 HD21 ' SG ' ' A' ' 90' ' ' CYS . 72.2 mt -82.09 146.58 29.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.617 HG13 ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -136.34 142.19 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.617 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 132.25 15.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -51.81 164.49 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.791 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.8 pt -150.48 176.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.535 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 77.3 m-85 -117.0 101.36 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.508 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 1.8 t -80.27 149.5 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 108.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -137.55 126.94 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.98 ' CG2' HG21 ' A' ' 39' ' ' VAL . 55.0 t -101.43 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 15.6 m-85 -75.05 121.78 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.473 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.2 mmt -72.45 165.86 47.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.686 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.0 Cg_endo -75.03 -11.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.426 1.751 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.62 12.83 25.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m170 67.47 84.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 t -175.61 81.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -89.7 178.67 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.47 173.7 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -112.81 119.85 39.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.02 135.31 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.3 ttm180 -87.8 112.65 22.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -132.22 166.61 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -104.42 173.33 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -91.55 38.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -131.62 -44.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.647 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -49.59 177.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.2 p -126.29 174.26 8.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 77' ' ' VAL . 3.3 t -43.95 -46.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -49.18 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.647 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -46.42 -68.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -41.81 -60.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.6 mt -42.48 -50.72 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.79 48.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -61.12 -53.98 50.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.98 HG21 ' CG2' ' A' ' 14' ' ' VAL . 22.2 t -54.63 -58.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.4 m -42.47 -38.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -42.77 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.4 mmmt -61.93 -37.61 85.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 6.7 pt -107.55 146.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' C ' HG23 ' A' ' 59' ' ' VAL . 11.5 tp -88.53 151.81 22.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -154.51 132.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 121.53 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.414 HG12 ' HB3' ' A' ' 100' ' ' PRO . 57.4 t -115.6 145.01 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -122.35 167.63 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.9 p -68.23 69.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -177.69 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.63 17.91 5.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.01 97.42 8.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 0.787 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -89.81 143.02 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 68' ' ' VAL . 36.9 t -136.06 88.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.09 109.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.588 HD13 HG11 ' A' ' 77' ' ' VAL . 52.8 mt -85.07 176.83 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -141.37 158.36 63.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.3 p -120.27 44.06 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -84.01 -177.51 6.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.168 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -112.46 -65.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.61 104.15 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.588 HG11 HD13 ' A' ' 70' ' ' LEU . 3.9 t -94.43 -61.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.791 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -38.69 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.5 m -87.43 -49.98 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.72 -46.21 40.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.961 HD21 HD21 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -40.52 123.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.57 -167.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.74 -52.64 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -112.11 51.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -112.47 138.33 49.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -119.35 145.91 45.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.961 HD21 HD21 ' A' ' 81' ' ' LEU . 71.6 mt -88.53 137.75 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HD2' HD22 ' A' ' 98' ' ' LEU . 13.0 m-85 -126.97 119.97 27.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' ILE . . . -106.49 114.88 29.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.873 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.8 p -159.01 174.21 15.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 108.272 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.5 p -63.52 -169.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -87.22 -27.19 23.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -6.77 58.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 m -105.37 -15.67 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.9 t80 -49.77 -41.87 45.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -31.74 59.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.62 -11.22 52.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.873 HD21 ' SG ' ' A' ' 90' ' ' CYS . 58.1 mt -65.71 140.29 58.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 100' ' ' PRO . 58.1 t -129.46 141.65 42.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.96 130.64 13.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -54.8 164.05 1.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.634 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -147.48 173.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.63 100.71 8.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 152.85 22.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 1.7 mpt_? -136.54 120.0 16.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.016 ' CG2' HG21 ' A' ' 39' ' ' VAL . 73.5 t -92.04 101.9 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.533 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 15.4 m-85 -71.44 119.29 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 28.9 mmt -72.93 165.56 51.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.838 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.99 -11.72 21.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.88 10.67 32.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.6 m170 67.67 82.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 t -176.43 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 22.9 p90 -86.3 178.53 7.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -139.93 156.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 125.68 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.68 132.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -88.49 107.39 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 10' ' ' ILE . 22.6 t -132.15 160.86 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 149.68 21.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.752 HD23 ' HB2' ' A' ' 78' ' ' PHE . 2.5 mt -58.29 -26.22 62.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -45.32 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -44.17 163.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -117.82 169.76 9.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.543 HG13 HD22 ' A' ' 58' ' ' LEU . 5.0 t -40.19 -47.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -47.99 -62.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -41.05 -65.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.7 mp -42.5 -58.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.1 mt -42.49 -62.61 0.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.96 -42.3 38.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -64.43 -58.04 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.016 HG21 ' CG2' ' A' ' 14' ' ' VAL . 32.1 t -52.33 -46.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 m -41.64 -42.55 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.62 -42.22 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.3 mmtt -61.97 -37.93 86.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.681 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 8.3 pt -109.04 146.66 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 89' ' ' ALA . 9.3 tp -88.55 157.06 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' C ' ' A' ' 58' ' ' LEU . 99.4 t -156.94 142.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.44 121.33 44.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 67' ' ' LYS . 83.4 t -119.12 130.94 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.3 167.4 9.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.0 p -70.33 69.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.84 -38.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.99 36.38 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -105.02 102.03 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HG2' HG22 ' A' ' 61' ' ' VAL . 7.0 mtmm -92.61 135.21 34.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 68' ' ' VAL . 24.5 t -130.98 88.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.15 109.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 70' ' ' LEU . 15.7 mt -85.39 176.28 8.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -134.48 156.86 78.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -5.93 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.821 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.23 44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -85.47 -175.49 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -117.14 -73.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 82.0 m -116.59 102.22 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.515 HG21 HG23 ' A' ' 32' ' ' VAL . 40.1 t -95.44 -68.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.752 ' HB2' HD23 ' A' ' 28' ' ' LEU . 10.3 m-30 -37.38 -32.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.9 m -87.34 -51.6 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -42.61 -49.31 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.94 133.44 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.5 -157.94 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mp -81.38 -52.28 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -114.82 56.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' HD13 ' A' ' 81' ' ' LEU . 8.5 m -112.16 142.17 44.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.526 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.5 m-70 -122.09 139.64 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 81' ' ' LEU . 58.2 mt -87.98 127.81 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.617 ' HZ ' HD23 ' A' ' 101' ' ' LEU . 65.1 m-85 -119.67 118.66 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -107.75 114.34 28.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.941 ' SG ' HD21 ' A' ' 98' ' ' LEU . 30.0 p -157.02 173.62 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -62.6 176.24 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.44 59.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.44 -7.09 45.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -108.03 -16.11 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.3 t80 -49.15 -41.27 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.69 -19.14 42.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.62 1.15 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.941 HD21 ' SG ' ' A' ' 90' ' ' CYS . 44.3 mt -78.57 150.67 32.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.722 HG13 ' HD2' ' A' ' 100' ' ' PRO . 76.9 t -139.57 143.67 36.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.722 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 126.7 10.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.617 HD23 ' HZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -53.0 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.418 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.0 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.688 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -149.39 174.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 52.9 m-85 -117.27 101.32 8.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.503 ' HB3' HD11 ' A' ' 24' ' ' ILE . 11.0 t -76.54 144.19 39.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.7 mpp_? -127.22 119.24 25.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.992 ' CG2' HG21 ' A' ' 39' ' ' VAL . 79.4 t -97.05 98.8 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.7 m-85 -71.51 127.01 31.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.462 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mmt -78.16 166.21 44.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.754 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.01 -11.68 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -107.3 13.46 27.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.7 m170 66.91 82.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.45 85.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 33.8 p90 -87.12 178.09 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 m -139.24 163.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -102.26 122.6 44.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -132.98 137.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -85.71 110.65 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -132.5 161.84 32.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HG2' ' CG ' ' A' ' 9' ' ' GLU . 31.1 mtt180 -109.57 172.28 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 78' ' ' PHE . 15.3 mt -87.41 44.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . 94.6 p -139.12 -45.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.61 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.462 ' O ' HD12 ' A' ' 35' ' ' ILE . 1.7 p -132.14 171.34 13.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.088 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.5 t -39.87 -51.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -44.6 -62.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.538 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -42.65 -67.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 mt -42.26 -61.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 36' ' ' LEU . 13.1 mt -40.88 -46.57 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.11 -57.17 12.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 m -53.39 -36.71 61.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.992 HG21 ' CG2' ' A' ' 14' ' ' VAL . 15.8 t -74.32 -60.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.643 ' HA ' HD23 ' A' ' 43' ' ' LEU . 53.6 m -38.19 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 30.1 mt-10 -67.21 -49.75 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.0 mmmt -53.37 -36.39 61.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.5 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.72 146.57 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.528 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.0 tp -88.5 152.12 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 95' ' ' TYR . 61.3 t -154.69 134.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.78 120.96 35.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -114.32 137.02 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.83 169.41 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -14.39 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -101.59 30.02 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.69 47.11 9.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.39 99.44 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -91.56 131.45 36.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 t -131.35 96.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.67 109.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 mt -84.57 175.15 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -134.43 157.61 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.34 9.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.4 p -122.97 46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 17.8 mm-40 -85.53 -176.65 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -117.61 -69.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 64.6 m -120.65 100.84 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.402 HG21 HG23 ' A' ' 32' ' ' VAL . 21.7 t -95.18 -66.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.688 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.3 m-30 -38.67 -31.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -86.67 -48.1 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.441 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -44.25 -49.81 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.788 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.8 137.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.79 -161.66 5.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.69 -55.37 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.53 56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.8 m -118.4 141.86 48.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -123.27 146.41 47.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.788 HD21 HD21 ' A' ' 81' ' ' LEU . 44.6 mt -88.82 137.98 31.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 98' ' ' LEU . 10.0 m-85 -126.84 123.93 38.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.35 114.74 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.89 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -161.44 173.53 14.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.6 p -66.47 -167.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -86.64 -34.72 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -76.83 -7.8 56.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ALA . 34.2 m -107.28 -24.58 11.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.4 t80 -42.54 -41.53 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -79.58 -31.0 41.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -67.02 -10.79 53.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.89 HD21 ' SG ' ' A' ' 90' ' ' CYS . 62.9 mt -65.03 149.8 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 100' ' ' PRO . 80.3 t -136.01 142.98 42.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.04 127.85 10.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -52.08 165.03 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 5.2 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.636 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -149.03 161.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -104.09 101.49 11.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.514 ' HB3' HD11 ' A' ' 24' ' ' ILE . 50.7 t -78.02 152.9 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -137.28 119.12 15.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.831 ' CG2' HG21 ' A' ' 39' ' ' VAL . 94.0 t -101.69 102.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 27.6 m-85 -72.58 125.46 27.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 31.7 mmt -71.28 163.71 63.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.64 4.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.6 14.91 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.626 ' NE2' HD22 ' A' ' 101' ' ' LEU . 21.9 m170 66.7 81.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.69 81.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -87.19 178.3 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.8 m -138.28 173.8 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -110.27 114.67 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.514 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.1 pp -126.95 134.22 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -88.5 111.71 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.5 t -131.5 159.91 36.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -99.46 174.03 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 78' ' ' PHE . 16.8 mt -89.92 40.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -132.49 -44.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.683 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.81 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -132.62 175.88 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG23 HG21 ' A' ' 77' ' ' VAL . 3.7 t -43.24 -45.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.21 -61.39 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.683 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -40.79 -67.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.5 mp -42.78 -63.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.4 mt -40.08 -44.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.59 56.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -60.14 -45.7 92.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.831 HG21 ' CG2' ' A' ' 14' ' ' VAL . 54.7 t -63.79 -51.1 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -40.55 -37.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.96 -46.37 81.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.5 mmmt -57.94 -38.67 76.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.649 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 pt -115.12 143.21 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.4 tp -90.08 149.34 22.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.531 HG21 ' CD2' ' A' ' 95' ' ' TYR . 39.3 t -153.25 136.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.57 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.535 HG22 ' HG2' ' A' ' 67' ' ' LYS . 92.7 t -116.93 139.76 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.84 167.79 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 69.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.2 t -176.93 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.26 31.72 1.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -96.71 95.76 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 61' ' ' VAL . 7.0 mtmm -87.56 145.46 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -141.44 92.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.6 110.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.98 178.6 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 155.18 77.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -7.15 18.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 p -115.21 49.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -87.07 179.25 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.66 -55.43 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.3 m -141.47 104.6 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.646 HG21 HG23 ' A' ' 32' ' ' VAL . 21.9 t -93.84 -58.78 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -41.96 -32.31 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 m -83.66 -59.86 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -43.52 -45.18 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.75 131.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.14 -164.28 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 mm -86.23 -45.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.39 45.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 139.6 44.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -114.36 147.02 39.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.543 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 81' ' ' LEU . 41.9 mt -87.55 125.34 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.577 ' HD2' HD22 ' A' ' 98' ' ' LEU . 5.7 m-85 -115.21 130.25 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.08 113.73 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.909 ' SG ' HD21 ' A' ' 98' ' ' LEU . 8.2 p -154.99 174.57 14.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 p -64.36 -174.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -84.48 -17.85 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 2.51 44.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.0 m -113.67 -15.47 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.052 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.531 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.3 t80 -48.61 -39.08 22.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.81 -25.29 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.69 -6.8 50.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.909 HD21 ' SG ' ' A' ' 90' ' ' CYS . 47.0 mt -68.35 146.12 53.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -132.92 142.6 45.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.5 Cg_endo -74.97 127.67 10.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.626 HD22 ' NE2' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -58.58 163.62 4.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mt-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.4 pt -150.96 173.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -114.86 102.73 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 p -102.46 148.82 25.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 1.0 OUTLIER -126.22 140.13 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 39' ' ' VAL . 25.5 t -108.52 102.01 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 45.8 m-85 -68.93 149.76 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.9 mmt -101.19 164.83 15.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 4.64 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.31 15.67 11.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 m170 66.92 76.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.09 109.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.448 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 6.4 p90 -114.85 172.16 7.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 27.5 m -132.47 164.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -103.27 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.759 HD11 HG23 ' A' ' 35' ' ' ILE . 6.3 pt -126.62 141.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -99.79 110.35 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -132.02 169.21 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -99.01 173.9 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.3 mt -84.06 48.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -149.42 -45.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' A' ' 34' ' ' ASP . . . -39.87 128.97 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' VAL . 9.5 p -83.79 166.05 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.576 HG22 HD23 ' A' ' 58' ' ' LEU . 2.6 t -39.84 -47.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -53.33 -56.52 15.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.722 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -43.14 -60.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.759 HG23 HD11 ' A' ' 24' ' ' ILE . 2.7 mp -49.83 -59.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' ILE . 18.7 mt -39.66 -43.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -49.22 63.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -59.02 -41.81 88.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.677 HG21 ' CG2' ' A' ' 14' ' ' VAL . 55.3 t -71.66 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' VAL . 18.6 m -37.88 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.07 -50.72 70.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 8.9 mmmt -53.62 -39.93 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.578 ' CD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 2.5 pt -124.74 139.72 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 89' ' ' ALA . 13.4 tp -89.94 150.89 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 95' ' ' TYR . 38.4 t -150.18 143.93 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.34 120.42 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 100' ' ' PRO . 39.3 t -115.92 127.41 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 p -100.55 177.18 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.7 p -67.74 -9.34 43.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 t -100.45 1.13 40.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.65 32.62 57.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -88.24 99.9 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -86.4 135.84 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.57 99.39 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 110.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.37 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 32' ' ' VAL . 14.5 mt -82.24 176.38 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -131.44 154.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 p -118.72 42.16 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.78 -177.39 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.83 -73.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 97.5 m -102.42 93.5 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.0 t -95.34 -66.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.2 m-30 -46.22 -24.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -90.48 -53.76 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -46.38 -50.81 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.46 140.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.63 -163.81 3.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.65 -58.0 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.6 54.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -115.84 126.46 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.964 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -104.9 140.14 38.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 81' ' ' LEU . 53.4 mt -87.95 133.85 33.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' HD2' HD22 ' A' ' 98' ' ' LEU . 11.6 m-85 -122.71 118.01 27.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.616 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -112.59 113.71 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.852 ' SG ' HD21 ' A' ' 98' ' ' LEU . 9.9 p -160.53 176.6 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 p -61.04 161.2 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -69.52 -12.12 61.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.4 -3.67 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.452 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.1 m -117.09 -8.51 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.2 t80 -55.93 -38.37 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -6.43 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.59 13.87 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.852 HD21 ' SG ' ' A' ' 90' ' ' CYS . 20.3 mt -84.81 143.29 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.495 HG13 ' HD2' ' A' ' 100' ' ' PRO . 43.0 t -130.7 141.06 40.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.527 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.3 Cg_endo -74.95 129.26 12.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -58.02 162.17 5.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.521 1.8 . . . . 0.0 111.023 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.615 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -151.72 170.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 31.8 m-85 -111.82 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 42.6 t -73.23 145.12 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -124.27 119.32 28.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.056 HG21 HG21 ' A' ' 39' ' ' VAL . 55.7 t -102.47 98.71 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 22.2 m-85 -70.81 139.98 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 25.9 mmt -89.19 166.02 23.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.734 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.97 -11.71 21.56 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.72 15.89 25.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.6 m170 66.66 78.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.8 t -175.78 96.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 17.4 p90 -95.2 178.32 5.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.06 169.63 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -110.06 123.84 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.502 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -137.21 127.72 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -81.5 112.06 18.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -132.2 169.14 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 3.2 ttm180 -102.7 178.11 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt -91.16 38.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.13 -45.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -42.93 146.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -100.13 173.79 6.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 t -46.86 -48.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.17 -57.93 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.4 m-20 -43.15 -62.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.502 HG23 HD11 ' A' ' 24' ' ' ILE . 4.8 mt -47.93 -57.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.2 mt -40.4 -44.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.89 54.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -59.36 -55.57 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.056 HG21 HG21 ' A' ' 14' ' ' VAL . 63.2 t -48.55 -57.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.54 ' HA ' HD23 ' A' ' 43' ' ' LEU . 11.1 m -32.8 -54.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -57.93 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -46.12 -42.03 13.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.625 HD21 HG12 ' A' ' 39' ' ' VAL . 2.5 mm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.546 HD12 HD21 ' A' ' 69' ' ' LEU . 7.6 pt -112.21 146.67 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.554 ' CD2' HD22 ' A' ' 87' ' ' LEU . 9.0 tp -88.44 153.05 21.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.507 HG21 ' CD2' ' A' ' 95' ' ' TYR . 60.2 t -154.97 137.12 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.68 121.25 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 85' ' ' SER . 89.2 t -116.02 136.41 53.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.71 169.9 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t -62.2 -13.59 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.38 27.32 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.78 47.03 13.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.97 96.31 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -87.19 137.62 32.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.84 98.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 57' ' ' ILE . 0.8 OUTLIER -61.3 104.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -75.67 177.62 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -128.87 154.86 80.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -4.12 14.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 p -114.2 45.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.16 -178.66 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -126.06 -55.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.9 m -126.56 97.55 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 79' ' ' THR . 26.9 t -95.15 -63.62 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -41.24 -27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 77' ' ' VAL . 2.4 m -87.36 -43.95 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -52.09 -41.27 62.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -40.26 124.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.88 -166.98 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -74.32 -50.09 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -120.96 49.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 2.8 m -108.15 148.01 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.8 m-70 -124.88 144.58 50.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' A' ' 81' ' ' LEU . 36.4 mt -88.03 128.31 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.61 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.3 m-85 -117.68 125.43 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.8 114.76 28.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.898 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -161.99 172.93 15.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 p -73.2 179.52 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -72.2 -23.02 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -8.07 56.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' ALA . 6.3 m -108.28 -23.99 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -44.89 -42.82 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.35 -23.82 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.898 HD21 ' SG ' ' A' ' 90' ' ' CYS . 61.3 mt -73.91 148.32 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.653 HG13 ' HD2' ' A' ' 100' ' ' PRO . 95.9 t -134.63 142.51 42.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.0 130.35 13.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -57.94 163.65 4.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -146.07 177.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.6 m-85 -111.24 101.43 9.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.7 t -83.49 152.56 24.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.71 125.72 30.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.986 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.7 t -100.17 104.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 20.2 m-85 -72.82 150.19 42.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.443 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 30.1 mmt -103.91 165.6 13.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.11 15.12 28.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.0 m170 66.49 81.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.07 109.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -110.07 176.71 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -133.16 169.08 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 m -109.69 125.36 52.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.507 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -139.72 136.74 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -87.2 113.26 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.3 t -131.75 167.74 18.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 30' ' ' ALA . 75.4 mtm180 -114.15 144.13 43.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.5 mt -49.85 -25.88 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -70.58 -34.15 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -58.18 172.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.439 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.7 p -131.72 172.61 12.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.61 HG23 HG21 ' A' ' 77' ' ' VAL . 7.4 t -43.6 -46.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -49.19 -53.34 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.8 t0 -50.97 -66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.8 mp -43.21 -58.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.6 mt -46.73 -63.71 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.95 -48.75 9.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -61.87 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.986 HG21 ' CG2' ' A' ' 14' ' ' VAL . 42.0 t -43.45 -52.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' VAL . 54.2 m -37.72 -41.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.05 -50.74 72.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 11.0 mmmt -53.33 -39.91 64.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.611 ' CD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -122.85 138.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 89' ' ' ALA . 5.6 tp -89.75 150.21 22.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -149.41 131.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.46 121.53 36.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 100' ' ' PRO . 40.4 t -115.35 130.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.2 t -114.77 165.94 12.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -24.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 28.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 41.04 31.65 0.5 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -84.43 97.94 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -83.56 135.66 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -134.08 99.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.951 HD12 ' CE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -62.21 99.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.8 mt -74.04 174.24 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -135.98 158.62 73.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.02 9.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.43 1.753 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.1 p -119.72 45.41 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -87.9 -179.99 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -108.99 -70.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.0 m -131.91 100.53 5.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 108.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.61 HG21 HG23 ' A' ' 32' ' ' VAL . 21.5 t -88.23 -56.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.651 ' HB2' HD23 ' A' ' 28' ' ' LEU . 10.8 m-30 -42.89 -27.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . 5.7 m -89.98 -57.29 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.91 -47.3 5.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.15 129.95 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.54 -159.05 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -92.05 -37.11 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -117.63 48.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.2 m -118.04 150.52 39.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 4.5 m-70 -132.28 145.8 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.643 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.871 HD21 HD21 ' A' ' 81' ' ' LEU . 62.2 mt -88.39 122.13 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.8 m-85 -114.84 122.69 47.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.841 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -112.19 115.83 29.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.939 ' SG ' HD21 ' A' ' 98' ' ' LEU . 15.0 p -161.68 173.89 14.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.5 p -69.08 169.73 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -68.61 -18.51 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.64 -5.32 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 m -117.81 -5.56 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.951 ' CE2' HD12 ' A' ' 69' ' ' LEU . 2.1 t80 -58.75 -40.93 85.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -12.22 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.16 7.78 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.939 HD21 ' SG ' ' A' ' 90' ' ' CYS . 49.4 mt -82.91 138.9 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 100' ' ' PRO . 41.4 t -126.06 141.33 39.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.2 Cg_endo -75.02 133.22 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -63.24 162.08 27.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.786 HD11 ' CD2' ' A' ' 78' ' ' PHE . 3.1 pt -146.65 176.96 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 20.5 m-85 -116.34 101.72 8.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HB3' HD11 ' A' ' 24' ' ' ILE . 39.0 t -78.96 151.11 31.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -137.39 119.11 15.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.963 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.7 t -99.03 104.57 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 16.5 m-85 -75.14 122.8 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.0 mmt -73.68 166.01 47.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.758 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.02 -11.58 21.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.83 12.64 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' NE2' HD22 ' A' ' 101' ' ' LEU . 31.5 m170 66.68 81.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.12 87.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -91.19 178.8 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.88 172.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -110.18 119.47 39.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER -129.12 141.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -91.16 111.71 23.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 t -132.17 154.24 49.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.75 175.53 6.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.78 38.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -136.55 -45.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -44.92 167.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -118.1 170.76 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.5 t -42.86 -48.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -47.13 -54.93 9.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.567 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -47.38 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -40.01 -55.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.4 mt -45.49 -51.95 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.79 17.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -54.76 -51.0 67.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.963 HG21 ' CG2' ' A' ' 14' ' ' VAL . 37.0 t -58.74 -56.44 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 m -44.36 -40.58 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.68 -37.33 81.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.6 mmmt -66.88 -36.66 82.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 pt -112.81 143.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' C ' HG23 ' A' ' 59' ' ' VAL . 13.8 tp -88.9 153.06 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -154.33 136.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 87' ' ' LEU . . . -96.74 121.29 38.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.37 129.39 71.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -109.93 167.38 10.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 t -66.89 69.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.6 OUTLIER -177.29 -36.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.021 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.74 13.49 6.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 95.98 4.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -90.39 133.95 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 t -129.43 90.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.25 110.81 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.4 mt -81.28 177.32 9.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -137.74 157.57 73.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -4.24 15.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -118.53 47.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.6 -179.34 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.97 -73.1 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 21.9 p -120.45 101.29 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.268 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.1 t -94.73 -66.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.786 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -39.17 -37.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 111.049 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 80' ' ' ALA . 2.4 m -80.54 -52.74 7.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -39.66 -55.49 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 85' ' ' SER . 0.2 OUTLIER -45.11 133.56 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.32 -136.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -105.73 -50.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -101.3 63.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' HD13 ' A' ' 81' ' ' LEU . 1.5 m -136.03 130.84 34.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.4 m-70 -113.82 139.52 49.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 60' ' ' ALA . 79.8 mt -87.92 139.54 30.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.61 ' HD2' HD22 ' A' ' 98' ' ' LEU . 13.2 m-85 -127.75 123.87 36.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.27 114.14 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.945 ' SG ' HD21 ' A' ' 98' ' ' LEU . 15.5 p -161.14 174.03 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.8 p -60.97 -171.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -27.15 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -12.79 57.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' ALA . 3.4 m -100.47 -21.91 15.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -45.19 -40.89 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.15 -25.03 40.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -73.76 -4.48 34.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.945 HD21 ' SG ' ' A' ' 90' ' ' CYS . 30.7 mt -74.12 145.71 44.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 100' ' ' PRO . 93.9 t -135.15 142.29 41.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.623 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 128.22 11.3 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' NE2' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -56.77 162.57 3.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.965 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' ' CG ' ' A' ' 27' ' ' ARG . 4.0 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.0 pt -148.46 176.35 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -120.67 101.59 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' HD11 ' A' ' 24' ' ' ILE . 6.3 t -80.71 153.42 27.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -137.32 124.63 21.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.935 ' CG2' HG21 ' A' ' 39' ' ' VAL . 89.0 t -98.2 100.03 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.5 m-85 -71.32 123.39 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.475 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.2 mmt -75.46 165.84 50.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.788 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.97 -11.52 21.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 13.58 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.7 m170 66.7 82.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -175.58 85.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -90.08 178.68 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 171.64 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.14 122.65 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.1 pp -132.75 129.43 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -85.19 110.37 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -132.22 164.12 27.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.465 ' CG ' ' HG3' ' A' ' 9' ' ' GLU . 22.9 mtp180 -105.17 166.76 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.2 mt -84.46 48.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -51.19 -178.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 p -130.11 171.94 12.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.638 HG22 ' CD2' ' A' ' 58' ' ' LEU . 3.1 t -41.35 -49.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -46.77 -56.85 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.643 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 13.5 t70 -47.96 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -42.8 -54.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.2 mt -48.73 -50.61 32.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.48 -46.64 93.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -61.74 -50.4 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.935 HG21 ' CG2' ' A' ' 14' ' ' VAL . 69.9 t -63.43 -59.01 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.657 ' HA ' HD23 ' A' ' 43' ' ' LEU . 30.9 m -38.23 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.84 -50.21 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.1 mmmt -53.01 -36.8 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.2 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -120.6 146.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.638 ' CD2' HG22 ' A' ' 32' ' ' VAL . 15.9 tp -89.17 152.33 21.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 95' ' ' TYR . 25.5 t -152.57 145.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.38 120.99 43.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 67' ' ' LYS . 94.8 t -115.51 132.65 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -110.01 166.52 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.85 69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -177.15 -36.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.59 28.91 2.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.12 95.93 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 61' ' ' VAL . 4.1 mtmp? -88.75 142.72 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.79 99.17 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.5 107.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -80.26 175.95 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -134.66 157.17 77.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.6 p -122.67 48.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -85.13 -178.48 6.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -114.28 -64.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 67.9 m -132.15 102.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.521 HG21 HG23 ' A' ' 32' ' ' VAL . 32.7 t -94.05 -62.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.75 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -40.95 -30.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 m -90.39 -50.58 5.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -43.71 -52.38 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.729 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.47 140.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.63 1.48 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mt -77.61 -53.02 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -112.39 51.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.533 ' HB2' HD13 ' A' ' 81' ' ' LEU . 5.4 m -106.96 147.01 30.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -125.34 142.96 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.729 HD21 HD21 ' A' ' 81' ' ' LEU . 46.9 mt -89.45 138.75 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.1 m-85 -128.88 119.68 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.95 115.96 31.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.913 ' SG ' HD21 ' A' ' 98' ' ' LEU . 17.0 p -157.68 173.92 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 108.337 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -67.85 168.06 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -13.55 62.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.55 -10.11 25.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m -105.84 -14.49 15.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.535 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -55.82 -36.23 67.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.65 -8.02 59.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.16 16.01 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.8 mt -89.43 149.38 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 100' ' ' PRO . 77.9 t -137.83 142.86 37.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 139.65 24.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -64.35 162.83 29.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.928 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.6 pt -145.37 175.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 88.7 m-85 -116.54 101.07 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -98.62 157.07 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.319 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -134.47 158.63 43.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.947 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.6 t -132.25 99.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.635 ' CD1' ' CB ' ' A' ' 21' ' ' TYR . 4.3 m-85 -67.6 157.75 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.9 mmt -106.16 166.52 11.09 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.96 -11.33 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.08 15.83 26.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.5 m170 66.88 80.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.01 103.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 15' ' ' TYR . 15.1 p90 -110.76 171.63 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 22.4 m -136.98 168.41 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.86 130.27 55.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.854 HD11 HG23 ' A' ' 35' ' ' ILE . 1.2 pt -135.76 143.97 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.2 ttt180 -98.03 114.03 26.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -132.15 169.05 16.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.98 147.09 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' A' ' 78' ' ' PHE . 4.4 mt -59.38 -16.6 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -100.45 29.59 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.69 -179.35 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.3 m -133.15 158.54 42.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.574 HG22 HD22 ' A' ' 58' ' ' LEU . 2.7 t -39.67 -47.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -50.78 -60.4 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -42.73 -63.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.854 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 mt -48.53 -59.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.3 mt -39.84 -67.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.78 -50.1 5.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -60.16 -37.17 79.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.043 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 ' CG2' ' A' ' 14' ' ' VAL . 71.9 t -72.49 -54.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -41.92 -35.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -45.19 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.3 mmmt -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.2 mm? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -106.4 148.98 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.574 HD22 HG22 ' A' ' 32' ' ' VAL . 6.8 tp -88.82 149.31 23.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 95' ' ' TYR . 48.0 t -152.61 137.84 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.7 121.22 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.3 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' SER . 1.8 m -108.93 169.1 8.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 68.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.6 t -174.82 -38.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.92 3.71 8.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.66 97.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -90.92 143.24 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 t -138.88 99.64 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 111.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 31.4 mt -85.0 178.69 7.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -134.19 154.44 80.05 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.39 9.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -118.41 43.98 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.04 -178.29 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -127.64 -69.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.5 m -111.86 94.36 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 79' ' ' THR . 21.7 t -95.09 -62.86 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.928 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.6 m-30 -42.63 -27.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' VAL . 1.9 m -85.13 -57.91 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.46 5.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.21 130.68 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.08 -145.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.59 -52.67 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -101.06 61.49 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -123.66 133.6 53.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.34 133.22 55.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 58' ' ' LEU . 54.6 mt -88.23 110.19 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' HB3' HD13 ' A' ' 98' ' ' LEU . 13.8 m-85 -98.86 124.05 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.05 115.3 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.958 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -161.91 173.81 13.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 71.9 p -67.51 -177.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.83 51.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -10.65 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 97' ' ' ALA . 18.2 m -106.63 -18.93 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.955 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.521 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.5 t80 -47.24 -41.56 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.76 -21.6 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.75 -1.9 30.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.958 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.7 mt -75.13 144.8 42.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 100' ' ' PRO . 85.2 t -130.8 141.82 43.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.616 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 134.79 18.22 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -65.02 161.88 43.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.491 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.9 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.844 HD11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 pt -150.89 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -114.33 101.65 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.16 149.67 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -136.76 119.78 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.611 HG12 ' CE ' ' A' ' 16' ' ' MET . 81.0 t -97.42 101.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 41.1 m-85 -75.29 119.31 19.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.611 ' CE ' HG12 ' A' ' 14' ' ' VAL . 35.5 mmt -70.17 164.02 56.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.699 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.99 5.18 4.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.31 11.34 9.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.1 m170 66.75 83.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 t -175.76 77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -86.95 177.6 7.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.07 173.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -111.52 122.53 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -138.05 128.92 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -87.34 109.82 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 47.0 t -132.17 169.26 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -101.04 160.48 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 78' ' ' PHE . 3.4 mt -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ALA . 8.1 t -67.34 -43.43 81.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -39.98 129.14 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 p -92.66 162.62 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.533 HG22 HD22 ' A' ' 58' ' ' LEU . 4.0 t -39.99 -43.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -54.87 -52.67 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.34 -70.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 2.5 mp -42.06 -55.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.0 mt -45.37 -45.26 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.43 -47.99 66.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.55 -43.0 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.016 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.574 HG21 ' CG2' ' A' ' 14' ' ' VAL . 40.7 t -69.93 -51.54 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.5 m -45.75 -24.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.57 64.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' VAL . 10.8 mmmt -69.1 -36.96 78.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.6 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pt -113.42 142.62 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 70' ' ' LEU . 7.8 tp -89.27 153.08 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.7 t -154.72 130.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.88 121.51 36.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.449 HG12 ' HB3' ' A' ' 100' ' ' PRO . 40.1 t -115.86 138.38 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -117.72 170.37 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 p -56.15 -19.85 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.8 p -92.31 11.65 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.06 64.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.22 99.88 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -85.05 141.05 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.18 96.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 109.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.651 HD12 HD23 ' A' ' 58' ' ' LEU . 21.7 mt -82.55 175.23 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -135.99 156.86 76.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.56 18.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 p -114.41 44.38 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -84.98 -179.72 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -120.1 -69.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -119.3 97.97 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 108.328 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.483 HG21 HG23 ' A' ' 32' ' ' VAL . 40.5 t -94.83 -64.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.844 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.0 m-30 -39.96 -28.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 77' ' ' VAL . 3.2 m -87.3 -55.85 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' THR . . . -39.62 -45.22 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.98 143.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -160.34 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.93 -47.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -122.62 50.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -105.47 142.69 34.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -121.44 143.85 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.576 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 81' ' ' LEU . 91.7 mt -88.2 147.91 24.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 8.6 m-85 -137.19 127.25 25.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -120.5 113.41 20.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.937 ' SG ' HD21 ' A' ' 98' ' ' LEU . 23.8 p -162.8 176.64 10.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.264 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.3 p -57.06 162.65 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -65.35 -39.93 92.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -9.44 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 29.4 m -100.97 -9.99 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.069 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -60.18 -38.11 82.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -82.39 -6.22 59.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.6 5.1 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.937 HD21 ' SG ' ' A' ' 90' ' ' CYS . 63.3 mt -73.32 133.39 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.481 HG13 ' HD2' ' A' ' 100' ' ' PRO . 61.9 t -123.79 138.99 31.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 131.88 14.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -57.76 163.31 4.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.1 pt -150.93 164.4 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.35 101.63 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 133.44 36.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.47 121.52 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.088 HG21 HG21 ' A' ' 39' ' ' VAL . 53.0 t -97.2 100.15 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.583 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.4 m-85 -68.99 154.25 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.6 mmt -107.8 164.26 15.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.96 4.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.49 13.52 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 m170 66.64 76.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.622 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -176.4 102.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -99.98 178.59 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.5 m -134.46 173.44 14.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -117.3 118.61 32.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 35' ' ' ILE . 1.6 pt -125.08 -177.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -136.72 111.53 8.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -132.01 169.37 16.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -95.23 149.82 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 78' ' ' PHE . 5.3 mt -61.08 -16.96 49.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.27 25.75 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.47 178.23 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -127.05 162.56 25.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 58' ' ' LEU . 3.0 t -43.54 -47.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -48.77 -61.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.12 -57.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 78' ' ' PHE . 3.4 mt -53.7 -60.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 36' ' ' LEU . 15.3 mt -41.13 -60.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.75 -43.48 22.6 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -66.71 -50.7 61.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.96 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.088 HG21 HG21 ' A' ' 14' ' ' VAL . 85.2 t -59.62 -57.68 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.624 ' HA ' HD23 ' A' ' 43' ' ' LEU . 5.6 m -36.02 -38.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.33 -49.99 73.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 39' ' ' VAL . 17.0 mmmt -52.22 -40.01 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 39' ' ' VAL . 3.2 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -118.0 139.45 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 89' ' ' ALA . 12.1 tp -89.14 154.93 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 95' ' ' TYR . 65.4 t -155.23 132.6 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.71 121.47 37.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.486 HG12 ' HB3' ' A' ' 100' ' ' PRO . 24.6 t -118.24 134.46 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 165.54 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.28 66.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -173.4 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.13 39.69 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.86 96.42 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -88.63 138.13 31.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.5 t -133.85 89.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.88 112.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 70' ' ' LEU . 27.4 mt -88.08 177.79 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.22 155.92 79.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.24 9.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.443 1.76 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 p -118.83 43.35 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.16 -177.7 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.71 -72.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 71.8 m -105.45 94.39 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.04 -69.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -45.77 -24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -89.17 -53.6 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -49.36 -49.51 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -45.24 132.53 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.33 -153.56 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.3 mt -91.73 -57.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.441 ' H ' ' ND2' ' A' ' 84' ' ' ASN . 2.0 p30 -98.14 61.15 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 42.9 m -130.51 122.7 28.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.9 m-70 -103.42 138.11 40.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.564 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' TYR . 29.2 mt -88.13 126.09 34.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.445 ' HD2' HD22 ' A' ' 98' ' ' LEU . 14.4 m-85 -114.36 119.32 36.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.69 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -113.13 113.72 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.807 ' SG ' HD21 ' A' ' 98' ' ' LEU . 12.4 p -162.71 176.56 10.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.4 p -56.29 175.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -32.96 48.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -0.38 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.43 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 9.4 m -115.07 -1.87 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.499 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -64.31 -37.73 88.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.2 -13.46 59.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.54 -3.98 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.807 HD21 ' SG ' ' A' ' 90' ' ' CYS . 48.5 mt -69.32 135.57 50.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 100' ' ' PRO . 94.1 t -129.97 142.49 45.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.08 129.11 11.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -58.88 162.02 7.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.69 154.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 p -98.48 -57.77 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.37 -171.12 33.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -134.73 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.78 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.67 -60.41 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.29 100.99 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.566 1.166 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.21 -9.08 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -47.95 150.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.71 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -144.78 175.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.69 101.44 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.5 t -78.22 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -134.02 123.01 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.947 ' CG2' HG21 ' A' ' 39' ' ' VAL . 49.4 t -99.68 101.7 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 48.0 m-85 -69.51 127.14 31.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 28.1 mmt -80.1 165.18 48.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.728 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -13.19 21.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.43 13.4 31.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 m170 66.49 79.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.87 87.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.014 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -86.38 178.78 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.63 169.88 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -112.13 110.18 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 35' ' ' ILE . 1.3 pt -122.89 136.77 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -91.21 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -131.97 168.29 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.94 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.7 26.51 2.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -143.23 18.44 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.8 -163.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 p -146.64 165.4 29.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.3 -48.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 16.4 pt20 -59.51 -48.57 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 15.2 t0 -51.26 -60.65 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.525 HG23 HD11 ' A' ' 24' ' ' ILE . 5.5 mt -50.09 -58.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ILE . 28.0 mt -39.98 -59.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.73 -45.63 24.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 m -64.0 -60.95 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 ' CG2' ' A' ' 14' ' ' VAL . 78.6 t -51.52 -50.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.6 m -43.56 -39.51 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -39.78 95.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.23 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mmtt -63.72 -36.96 85.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.1 mm? -57.82 140.11 52.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.67 94.91 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 43' ' ' LEU . 27.5 m-85 -142.38 -50.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.96 -174.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -101.19 47.66 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.4 160.04 68.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 1.51 7.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.56 69.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.1 53.29 4.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 59.74 119.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 110.339 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -139.39 154.15 47.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -110.84 58.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 m 57.65 106.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -115.42 122.92 47.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.8 pt -113.88 143.78 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.738 HD21 HD13 ' A' ' 87' ' ' LEU . 11.8 tp -88.58 153.39 21.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' A' ' 95' ' ' TYR . 57.7 t -155.32 135.51 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.64 121.07 35.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' HIS . 84.4 t -118.67 130.35 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -111.3 168.24 9.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -66.94 70.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.1 t -176.08 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.63 13.0 7.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.82 95.95 5.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -89.55 140.31 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.77 91.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.73 111.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.08 -179.45 7.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -131.77 155.84 80.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.01 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -115.71 46.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -87.62 -175.39 5.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -133.12 -72.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 93.9 m -108.07 97.92 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.02 -70.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.8 m-30 -38.64 -31.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -85.35 -49.15 8.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -47.84 -51.18 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 85' ' ' SER . 0.2 OUTLIER -52.04 124.57 13.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . -59.75 -141.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.76 -57.27 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.01 52.38 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.525 ' HB2' HD13 ' A' ' 81' ' ' LEU . 31.9 p -124.94 148.98 48.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -137.38 138.69 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.738 HD13 HD21 ' A' ' 58' ' ' LEU . 48.3 mt -88.0 135.75 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.602 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.0 m-85 -126.56 124.78 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.472 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -111.29 114.16 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.968 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.3 p -160.85 173.99 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.8 p -61.5 -175.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -32.42 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.48 -11.66 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 m -98.52 -21.46 16.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.3 t80 -45.17 -41.55 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -75.62 -38.9 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.968 HD21 ' SG ' ' A' ' 90' ' ' CYS . 60.8 mt -59.19 143.48 48.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 100' ' ' PRO . 80.5 t -132.86 142.66 45.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.79 163.32 1.14 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -141.44 80.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -128.91 -173.93 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 105' ' ' ILE . 3.5 mp -93.45 38.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -111.04 -166.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.2 m -51.65 114.85 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.08 168.11 13.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -68.13 -68.2 1.73 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 t70 72.87 162.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 0.801 . . . . 0.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 38.7 p 43.85 49.56 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.438 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.33 -21.49 19.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 pt 40.78 66.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 142.75 177.42 17.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 58.13 4.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.8 p -121.92 83.31 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.59 102.88 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -160.13 101.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.62 163.98 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.62 -131.01 10.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m 62.46 138.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p 45.02 91.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.97 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.41 -176.22 31.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.86 ' HB2' HD12 ' A' ' 28' ' ' LEU . 50.2 m-20 -127.83 84.84 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 -65.63 147.41 53.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.677 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -149.26 177.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -115.83 101.19 8.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.485 ' SG ' HD12 ' A' ' 87' ' ' LEU . 7.5 t -78.02 142.26 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' CG ' ' CE2' ' A' ' 21' ' ' TYR . 1.3 mpt_? -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.833 ' CG2' HG21 ' A' ' 39' ' ' VAL . 12.7 t -90.21 100.76 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.563 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 9.6 m-85 -70.24 127.1 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -76.43 165.26 54.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 3.88 5.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.565 1.824 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -122.23 13.06 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m170 66.15 70.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -169.01 87.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' ' CG ' ' A' ' 13' ' ' ARG . 8.8 p90 -86.29 178.99 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.07 158.08 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -96.8 124.95 40.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.406 HG21 ' CG2' ' A' ' 39' ' ' VAL . 2.5 pt -128.39 -179.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -135.9 108.27 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -132.21 168.43 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -90.78 157.11 17.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.86 HD12 ' HB2' ' A' ' 8' ' ' ASP . 4.9 mt -68.0 -23.84 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 23.63 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 -178.51 6.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 p -128.04 167.66 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.681 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.6 t -48.85 -48.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -49.49 -60.27 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -40.29 -57.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 78' ' ' PHE . 4.2 mt -53.66 -59.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 mt -45.8 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.09 -45.43 7.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.7 m -67.17 -68.11 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.943 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.833 HG21 ' CG2' ' A' ' 14' ' ' VAL . 40.7 t -41.35 -45.73 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -43.72 -41.59 4.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 2.7 mm-40 -60.43 -39.21 86.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' VAL . 25.7 mmmt -64.74 -37.04 86.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.507 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? -58.28 -177.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 5.6 mm-40 -83.68 104.72 14.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 47.3 m-85 -163.28 142.16 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.1 -63.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -150.44 44.87 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' GLU . 7.9 pt-20 41.83 96.79 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.644 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.01 1.45 7.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 49' ' ' PRO . . . 81.08 -177.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.15 -46.17 1.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 163.03 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.78 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.82 -4.21 58.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.32 -61.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 69.8 106.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt -120.51 141.74 49.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 1.9 pt -120.57 147.04 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.681 ' CD2' HG22 ' A' ' 32' ' ' VAL . 14.0 tp -89.82 149.25 22.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 95' ' ' TYR . 39.4 t -151.16 132.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.75 121.26 38.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' ' 100' ' ' PRO . 38.9 t -115.96 135.93 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.89 167.15 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m -70.98 66.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -173.43 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.61 39.87 0.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -107.31 96.77 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -87.11 143.98 27.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.3 t -140.0 90.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.36 110.36 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 70' ' ' LEU . 24.4 mt -82.43 176.38 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.53 153.25 77.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 p -116.67 40.39 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.54 -176.1 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 13.2 t0 -132.79 -71.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 94.6 m -106.86 96.82 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 108.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' THR . 37.6 t -95.24 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.0 m-30 -38.18 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.1 m -84.3 -52.12 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -50.31 -45.02 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.56 143.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.05 -166.49 17.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.56 -50.38 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.8 57.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 56.7 m -121.65 130.27 53.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -109.09 143.35 38.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.574 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 81' ' ' LEU . 36.7 mt -87.71 120.57 29.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 98' ' ' LEU . 10.7 m-85 -112.74 125.24 54.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -120.97 114.01 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.998 ' SG ' HD21 ' A' ' 98' ' ' LEU . 8.1 p -157.12 176.23 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.6 p -65.51 154.87 37.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -31.68 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -0.84 33.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.433 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 7.8 m -119.48 -5.83 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.4 t80 -59.97 -40.26 88.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.36 -12.86 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.59 -3.94 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.998 HD21 ' SG ' ' A' ' 90' ' ' CYS . 51.9 mt -69.51 146.92 51.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.718 HG13 ' HD2' ' A' ' 100' ' ' PRO . 60.5 t -138.95 143.48 37.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.718 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.97 133.69 16.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -56.22 161.99 3.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 46.9 mt-10 -142.98 103.29 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 103' ' ' GLU . 29.4 mt-10 -160.75 -174.03 4.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.699 ' O ' HG22 ' A' ' 105' ' ' ILE . 43.0 mm -104.86 42.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -144.98 112.32 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.623 ' O ' HG12 ' A' ' 107' ' ' VAL . 63.4 t 60.84 40.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 p -120.59 152.07 55.02 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.95 10.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.38 94.32 0.23 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.32 124.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 112' ' ' THR . 13.8 t -146.98 115.44 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.81 170.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.8 mt 68.7 -81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.4 t -58.53 156.19 10.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.8 -86.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.118 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.41 26.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 149.32 46.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.6 p -109.07 -58.56 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 m 43.68 88.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -108.27 -63.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.63 164.51 8.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.48 145.63 54.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -121.87 131.97 54.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.966 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.94 169.83 24.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.7 ' HB2' HD12 ' A' ' 28' ' ' LEU . 87.5 m-20 -129.03 86.28 2.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.17 148.62 49.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.805 HD11 ' CD2' ' A' ' 78' ' ' PHE . 5.3 pt -145.68 176.57 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 63.4 m-85 -111.89 101.42 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.8 t -83.66 150.11 26.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -136.76 114.51 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 39' ' ' VAL . 98.1 t -89.47 106.15 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 17.9 m-85 -73.25 120.64 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.486 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 28.5 mmt -73.08 166.42 43.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.796 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.99 -11.24 21.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -106.02 10.57 32.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 62.5 m170 67.59 82.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.94 85.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 32.4 p90 -87.0 178.73 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.571 HG11 ' HB3' ' A' ' 42' ' ' LYS . 35.0 m -135.01 172.86 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -111.03 111.1 21.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.898 HG22 ' HE2' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -125.51 138.76 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.2 ttm180 -96.57 116.59 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -132.2 167.73 19.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.56 144.89 24.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 8' ' ' ASP . 6.0 mt -61.29 -16.49 46.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.84 27.46 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.88 174.9 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.3 m -120.04 172.8 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.57 -50.22 41.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -48.78 -60.56 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.14 -59.27 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 24' ' ' ILE . 5.2 mt -49.8 -60.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ILE . 21.2 mt -39.98 -56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.01 -44.47 25.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' HD13 ' A' ' 24' ' ' ILE . 7.4 m -69.29 -50.2 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 14' ' ' VAL . 46.0 t -56.55 -53.68 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.764 HG22 ' CE1' ' A' ' 45' ' ' TYR . 40.5 m -33.51 -55.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.84 -53.0 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.898 ' HE2' HG22 ' A' ' 24' ' ' ILE . 11.6 mptt -50.5 -41.05 52.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD21 HG12 ' A' ' 39' ' ' VAL . 2.8 mm? -67.7 -171.59 0.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -147.46 101.18 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.764 ' CE1' HG22 ' A' ' 40' ' ' THR . 1.7 p90 -115.6 103.38 10.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 m -163.13 50.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -137.74 23.96 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -126.79 166.38 22.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.05 0.89 8.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 49' ' ' PRO . . . 70.45 146.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.61 -43.87 2.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -56.76 -56.99 14.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 69.8 171.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.94 -46.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m 65.1 124.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt -108.12 157.54 18.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.6 pt -116.8 143.0 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 89' ' ' ALA . 6.4 tp -88.94 146.06 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.589 HG21 ' CD2' ' A' ' 95' ' ' TYR . 47.1 t -146.67 139.72 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.85 121.06 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.4 t -115.26 135.3 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.71 165.92 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.46 67.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.41 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.81 35.5 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.49 95.89 7.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.767 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -88.73 138.92 30.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 68' ' ' VAL . 16.3 t -137.83 88.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.51 110.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.6 mt -79.82 -179.86 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -134.72 154.68 79.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.07 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p -117.5 43.05 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -85.37 -175.3 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -130.6 -70.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 74.7 m -112.19 97.38 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.86 -64.75 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.805 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.8 m-30 -42.01 -28.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 m -90.39 -51.23 5.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -45.43 -44.81 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -43.48 140.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.74 -153.76 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.54 -56.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -109.93 45.97 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -105.99 128.15 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -108.85 146.74 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 81' ' ' LEU . 12.6 mt -88.15 137.92 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' HD2' HD22 ' A' ' 98' ' ' LEU . 11.3 m-85 -129.02 121.96 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.831 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -111.13 114.69 28.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.876 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.6 p -159.27 173.88 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.7 p -67.78 177.09 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -77.67 -15.58 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -9.37 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ALA . 1.3 m -110.75 -19.88 12.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.589 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.1 t80 -43.57 -44.68 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.31 -28.33 56.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -70.53 -7.71 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.876 HD21 ' SG ' ' A' ' 90' ' ' CYS . 53.5 mt -68.12 150.48 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 100' ' ' PRO . 79.2 t -139.46 143.57 36.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -51.1 163.48 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -150.27 87.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -128.93 -172.33 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -108.32 51.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 176.57 46.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 108' ' ' SER . 7.2 p -167.41 134.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 107' ' ' VAL . 1.3 m 83.39 158.32 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 87.9 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.799 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.89 -164.53 30.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -158.55 -60.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.5 p -54.56 122.64 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -174.11 167.33 4.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.6 mt -113.43 -64.34 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t 179.78 172.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -129.84 156.7 21.55 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -74.98 56.24 4.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' PRO . 38.0 t 39.42 69.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.021 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.8 m 47.05 86.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -172.86 -58.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 110.048 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.94 -56.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.996 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.96 -123.84 1.93 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.0 97.68 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 63.25 153.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.04 129.0 1.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -141.23 77.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -82.92 149.07 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.1 pt -147.55 176.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -117.46 101.3 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 2.0 t -79.77 146.43 32.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -136.39 119.27 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.888 ' CG2' HG21 ' A' ' 39' ' ' VAL . 47.3 t -95.59 106.11 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 30.0 m-85 -75.78 122.16 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 34.7 mmt -72.96 164.28 62.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.628 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.95 4.49 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.84 11.43 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CD2' HD22 ' A' ' 101' ' ' LEU . 58.8 m170 66.91 82.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -175.97 80.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -86.92 178.31 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.03 168.82 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.61 116.96 32.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.68 135.86 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.88 110.95 20.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -131.9 164.41 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -103.43 173.0 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 HD23 ' HB2' ' A' ' 78' ' ' PHE . 17.9 mt -90.66 39.99 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' ALA . 45.0 m -134.54 -44.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -49.15 176.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -124.42 178.34 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.598 HG23 HG21 ' A' ' 77' ' ' VAL . 3.0 t -50.04 -56.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 20.2 pt20 -42.01 -47.25 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -54.78 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.485 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.8 mp -47.68 -54.41 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.9 mt -44.78 -53.64 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.3 -50.46 66.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -58.08 -52.75 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.888 HG21 ' CG2' ' A' ' 14' ' ' VAL . 48.2 t -59.86 -50.49 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 m -47.35 -27.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -35.52 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.2 mmmt -70.52 -34.95 72.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.3 mm? -51.07 144.15 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -45.45 -25.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' A' ' 43' ' ' LEU . 14.7 m-85 -48.5 105.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -154.74 -68.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.82 55.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.83 165.85 33.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.98 8.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.11 171.11 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.42 -50.55 0.82 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -56.3 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 62.92 153.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.3 -45.26 85.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 p 168.69 135.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.74 153.02 23.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.475 ' HB ' HD21 ' A' ' 69' ' ' LEU . 1.3 pt -133.91 139.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 89' ' ' ALA . 9.3 tp -88.58 143.81 26.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.503 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -144.3 135.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 121.39 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 85' ' ' SER . 41.9 t -115.39 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.7 t -107.68 164.16 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -22.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 27.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 44.52 40.87 6.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -92.0 97.64 11.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -86.51 130.38 34.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.59 94.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD21 ' HB ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -53.73 103.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.6 172.87 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -131.18 156.13 80.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.09 14.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 47.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -86.07 -178.78 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -114.16 -61.11 1.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 79.2 m -133.0 104.99 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.598 HG21 HG23 ' A' ' 32' ' ' VAL . 40.6 t -94.84 -64.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.703 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.4 m-30 -39.71 -35.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 m -84.09 -52.65 6.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -45.97 -48.58 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.846 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.99 128.83 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.98 -161.23 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.75 -61.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.357 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -99.82 48.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m -113.17 134.08 54.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.8 m-70 -118.34 146.4 44.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.138 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.846 HD21 HD21 ' A' ' 81' ' ' LEU . 74.4 mt -88.03 125.22 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' VAL . 9.0 m-85 -118.22 124.92 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -119.51 113.97 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.877 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.8 p -162.6 176.89 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.0 p -61.28 155.05 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 3.7 mtm180 -63.26 -25.07 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -5.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.415 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.2 m -113.75 -15.08 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.8 t80 -47.98 -40.97 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.35 -23.63 43.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.52 -5.58 56.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.877 HD21 ' SG ' ' A' ' 90' ' ' CYS . 75.9 mt -62.84 140.15 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.668 HG13 ' HD2' ' A' ' 100' ' ' PRO . 72.4 t -133.4 142.77 45.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.668 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.02 132.16 15.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -51.49 162.86 0.64 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 3.1 pt-20 -159.74 87.38 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -137.03 -173.39 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 105' ' ' ILE . 45.6 mm -104.48 41.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -176.15 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.1 t -123.69 158.97 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.1 m 57.6 95.17 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 67.7 5.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.504 1.791 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.83 -85.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -59.11 169.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.3 t -142.55 155.85 45.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.42 172.44 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.9 mt -120.37 134.18 64.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.8 p -168.44 169.43 10.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.98 153.64 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.113 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.84 26.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.0 t -178.88 142.81 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.0 t 61.78 169.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.76 157.08 27.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.89 136.15 26.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.54 125.11 1.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -145.37 113.22 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -127.67 139.28 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.68 -144.35 8.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.568 ' HB2' HD12 ' A' ' 28' ' ' LEU . 75.1 m-20 -136.38 74.87 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.1 mt-10 -68.65 151.58 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.71 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -150.33 177.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 m-85 -113.41 101.44 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -80.87 144.15 32.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -118.96 119.8 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 39' ' ' VAL . 87.6 t -108.35 99.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 10.7 m-85 -73.11 158.14 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.4 mmt -107.06 164.29 15.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.96 4.67 4.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -119.06 15.81 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 66.93 74.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -175.51 114.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 14.5 p90 -113.66 176.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.93 171.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 m -114.59 113.25 24.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.862 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -127.21 134.03 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 11.7 ttp180 -95.82 111.04 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.503 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 25.8 t -131.78 169.22 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -89.81 158.48 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.3 mt -65.61 -12.22 51.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 p -85.62 -29.96 23.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -58.27 126.97 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -93.7 175.73 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.625 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.0 t -40.59 -52.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -49.46 -57.1 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 10.0 m-20 -46.79 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.862 HG23 HD11 ' A' ' 24' ' ' ILE . 3.7 mt -41.54 -57.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.1 mt -40.25 -48.24 2.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.68 -50.74 63.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.508 ' HB2' HD13 ' A' ' 24' ' ' ILE . 73.4 m -58.56 -46.83 86.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 0.793 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 14' ' ' VAL . 25.2 t -57.89 -57.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.554 ' HA ' HD23 ' A' ' 43' ' ' LEU . 23.3 m -32.64 -53.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -43.52 -58.71 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -45.26 -41.7 8.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 40' ' ' THR . 2.6 mm? -68.28 172.34 6.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -109.36 25.6 11.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' SER . 0.7 OUTLIER 38.09 92.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.058 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' TYR . 5.1 m -38.47 114.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.83 85.33 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -132.71 140.98 39.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.28 7.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.47 170.0 9.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' ARG . . . 114.97 -55.66 0.53 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.559 1.162 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 51' ' ' GLY . 0.8 OUTLIER 46.8 96.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 49.79 88.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.27 -60.0 2.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m 71.92 123.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -102.28 145.1 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 ' CD ' ' A' ' 92' ' ' ARG . 3.8 pt -118.01 144.32 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 89' ' ' ALA . 8.4 tp -90.94 151.39 21.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG21 ' CD2' ' A' ' 95' ' ' TYR . 46.7 t -153.63 136.63 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.35 121.65 40.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 100' ' ' PRO . 52.6 t -119.62 134.54 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 2.3 t -114.8 168.37 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 69.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t -174.84 -38.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.67 9.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.81 100.36 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -92.17 145.38 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.2 t -141.45 95.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.24 111.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.8 mt -82.71 176.28 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -130.39 156.01 80.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -9.11 20.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 p -111.96 47.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.72 -178.6 6.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.11 -71.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.0 m -118.28 100.94 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 t -93.89 -60.38 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 10' ' ' ILE . 12.6 m-30 -42.07 -30.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -88.95 -51.83 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.87 -43.29 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.885 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.89 145.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.1 -170.06 13.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.44 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.7 mp -74.86 -49.48 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 83' ' ' ILE . 9.0 m-80 -120.58 51.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 138.69 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 5.1 m-70 -113.22 142.32 45.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.556 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.885 HD21 HD21 ' A' ' 81' ' ' LEU . 54.1 mt -87.76 115.58 25.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.487 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.5 m-85 -105.41 118.58 36.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.758 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -114.33 113.25 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.913 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -163.12 176.98 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.7 p -54.28 169.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.413 ' CD ' HD13 ' A' ' 57' ' ' ILE . 5.0 mmm180 -72.62 -43.86 62.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -10.21 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.421 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 21.3 m -98.83 -9.31 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.491 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.3 t80 -59.0 -37.34 76.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.49 -10.71 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.22 11.23 37.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 ' SG ' ' A' ' 90' ' ' CYS . 47.9 mt -83.64 127.42 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 100' ' ' PRO . 54.0 t -117.75 141.4 28.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.543 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.03 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.69 163.0 1.16 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -130.66 -167.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.253 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 65.02 151.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 105' ' ' ILE . 4.7 mm -88.28 46.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -112.22 -167.16 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.7 m -43.14 119.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.71 66.64 0.46 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.68 10.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -113.24 -98.52 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.46 131.87 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.249 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.4 m 61.1 145.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -78.99 142.41 36.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.7 123.3 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -59.84 -44.91 93.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 57.41 73.55 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 72.17 4.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.3 m -164.24 170.78 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.6 p -147.71 152.85 38.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -112.96 95.25 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 0.73 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -109.85 123.2 49.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.64 125.11 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -160.51 153.21 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -102.37 138.17 39.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.42 -163.05 32.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.934 ' CB ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -129.79 82.77 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 27' ' ' ARG . 1.9 pt-20 -70.62 134.02 47.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.68 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -142.74 178.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 47.5 m-85 -118.51 101.53 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 3.8 t -80.39 151.75 29.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -137.31 126.73 24.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.871 ' CG2' HG21 ' A' ' 39' ' ' VAL . 56.0 t -103.05 107.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CB ' ' CE1' ' A' ' 88' ' ' PHE . 53.3 m-85 -77.57 121.74 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.513 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 32.2 mmt -73.45 165.1 56.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.781 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.97 -12.69 21.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.89 11.56 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CD2' HD22 ' A' ' 101' ' ' LEU . 59.6 m170 66.9 84.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.83 81.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.9 p90 -86.91 174.29 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.13 171.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.35 118.93 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.55 HD11 HG23 ' A' ' 35' ' ' ILE . 1.3 pt -127.82 133.59 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -83.71 109.06 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -132.16 153.45 50.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 9' ' ' GLU . 4.1 mtt180 -103.12 169.52 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.934 HD12 ' CB ' ' A' ' 8' ' ' ASP . 32.7 mt -75.41 55.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -152.46 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.76 135.42 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 p -95.17 170.68 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG22 HD23 ' A' ' 58' ' ' LEU . 3.0 t -40.34 -48.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.41 -55.8 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.568 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.1 m-20 -48.9 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.55 HG23 HD11 ' A' ' 24' ' ' ILE . 3.3 mt -44.19 -61.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 58' ' ' LEU . 14.1 mt -40.65 -44.54 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.33 -55.23 22.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m -56.07 -39.06 71.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.871 HG21 ' CG2' ' A' ' 14' ' ' VAL . 31.3 t -70.5 -52.43 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.2 m -45.14 -25.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.48 -41.52 65.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.2 mmmt -64.43 -36.48 84.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 4.0 mm? -57.62 140.8 50.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -82.67 76.06 9.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.491 ' CD2' ' HB3' ' A' ' 43' ' ' LEU . 16.0 m-85 -128.21 84.25 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.3 p -60.13 103.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 48' ' ' GLU . 2.5 tt0 170.26 50.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 47' ' ' GLU . 28.7 mt-10 59.13 151.65 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.11 8.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.92 56.97 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.51 47.26 1.74 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.39 87.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 110.343 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.48 120.26 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 55' ' ' SER . 2.6 m-20 -40.9 -52.54 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.608 ' O ' HG22 ' A' ' 91' ' ' THR . 4.0 p 163.55 109.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -134.94 125.39 26.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD12 HD21 ' A' ' 69' ' ' LEU . 8.1 pt -116.08 145.95 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 HG22 ' A' ' 32' ' ' VAL . 10.6 tp -88.91 146.77 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -148.19 134.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.63 121.6 39.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.633 HG12 ' HB3' ' A' ' 100' ' ' PRO . 61.2 t -113.51 138.04 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.79 169.52 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 112' ' ' THR . 89.6 p -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.3 p -91.75 -1.01 57.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.45 17.38 79.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.27 101.43 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -86.73 135.61 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -135.05 94.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD21 HD12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -53.91 110.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 87' ' ' LEU . 32.9 mt -78.97 178.07 8.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -137.68 157.42 73.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.09 12.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.8 p -116.66 45.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -87.18 179.35 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -109.43 -66.61 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.6 m -142.11 102.04 4.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 81' ' ' LEU . 8.0 t -84.8 -45.26 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.4 m-30 -45.51 -36.0 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -90.35 -46.92 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.61 -45.02 27.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.89 HD21 HD21 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -39.66 136.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.68 -156.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.67 -51.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' HB3' ' CA ' ' A' ' 110' ' ' GLY . 31.1 m-80 -118.09 52.49 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -111.31 149.02 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -127.81 145.45 50.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.89 HD21 HD21 ' A' ' 81' ' ' LEU . 27.9 mt -88.08 142.48 27.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CB ' ' A' ' 15' ' ' TYR . 8.5 m-85 -135.13 124.45 24.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.16 114.62 28.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.979 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -160.97 173.8 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 55' ' ' SER . 62.5 p -69.02 -179.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -40.48 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -10.46 59.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -105.12 -17.83 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.522 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.4 t80 -52.79 -43.02 65.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -77.73 -14.43 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.14 3.51 53.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.979 HD21 ' SG ' ' A' ' 90' ' ' CYS . 73.2 mt -75.09 150.74 38.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.517 HG13 ' HD2' ' A' ' 100' ' ' PRO . 47.0 t -144.21 141.48 18.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.633 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.3 Cg_endo -75.02 140.51 25.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -53.79 161.34 1.72 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.28 167.86 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 7.1 pt-20 -81.82 88.93 6.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 105' ' ' ILE . 3.2 mt -106.09 18.73 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.542 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 1.3 mt-30 157.88 65.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.8 t 63.17 82.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.92 134.85 8.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.11 23.96 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.422 ' CA ' ' HB3' ' A' ' 84' ' ' ASN . . . 139.26 -130.38 4.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.7 t0 60.01 115.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 112' ' ' THR . 14.9 t -166.67 42.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 73.22 95.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -49.51 109.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 54.1 p -134.91 96.28 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -46.06 170.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 78.76 2.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -150.63 82.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.7 m -85.08 101.12 12.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.95 100.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.53 -63.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.72 155.55 26.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 p -78.0 -27.74 49.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 0.794 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.8 179.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.52 -151.96 23.72 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.596 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.7 m-20 -133.85 76.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CD ' ' NH1' ' A' ' 27' ' ' ARG . 9.5 mt-10 -66.61 149.36 50.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.808 HD11 ' CD2' ' A' ' 78' ' ' PHE . 3.2 pt -151.04 176.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 36.1 m-85 -111.27 101.29 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 7.8 t -80.65 147.3 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -126.78 128.05 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.979 ' CG2' HG21 ' A' ' 39' ' ' VAL . 45.8 t -111.16 101.38 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 10.5 m-85 -72.19 149.8 44.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.461 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 28.4 mmt -98.42 166.13 13.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.741 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 -12.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.92 16.95 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' CD2' HD22 ' A' ' 101' ' ' LEU . 35.5 m170 66.77 79.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.26 103.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -103.61 178.8 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 m -135.88 173.37 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -116.43 119.49 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 38' ' ' SER . 1.0 OUTLIER -133.95 134.99 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -91.28 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.504 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 46.0 t -132.21 168.38 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 9' ' ' GLU . 6.9 mtm-85 -98.18 150.89 21.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 8' ' ' ASP . 2.4 mt -55.82 -24.45 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 t -75.68 -34.39 60.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -47.46 138.85 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -99.18 167.11 10.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.7 t -40.15 -48.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -49.24 -61.0 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.619 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -40.43 -58.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.95 -46.36 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.97 92.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.642 ' HB2' HD13 ' A' ' 24' ' ' ILE . 25.8 m -63.51 -47.92 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.979 HG21 ' CG2' ' A' ' 14' ' ' VAL . 89.0 t -63.59 -52.8 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.7 m -41.87 -37.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.74 -44.22 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.9 mmmt -59.33 -38.28 79.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 4.1 mm? -56.55 166.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 4.5 mt-30 -88.24 81.5 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.482 ' CE2' ' HB3' ' A' ' 43' ' ' LEU . 26.2 m-85 -142.09 131.71 24.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -152.55 -71.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 57.58 1.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.88 115.53 5.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.61 159.83 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.89 -54.6 0.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.81 31.59 20.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.598 ' HG2' HG21 ' A' ' 91' ' ' THR . 60.4 mt-10 -102.78 158.27 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.373 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.74 -90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.07 16.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt 62.25 131.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 90' ' ' CYS . 4.1 pt -117.17 143.89 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.0 tp -89.05 149.43 23.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -153.98 133.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.14 121.4 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.3 t -117.46 136.47 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 169.36 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.21 69.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.96 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.21 25.84 2.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.45 95.73 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -89.98 134.96 33.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 68' ' ' VAL . 37.9 t -130.64 87.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.67 109.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.0 -179.15 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -140.66 158.2 66.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.19 12.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.9 p -119.91 48.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -86.39 -175.02 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -121.66 -67.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 2.4 p -124.52 100.45 6.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.0 t -94.73 -66.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.808 ' CD2' HD11 ' A' ' 10' ' ' ILE . 12.4 m-30 -38.43 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . 2.1 m -89.08 -58.57 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -41.05 -43.48 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.852 HD11 ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -44.75 132.08 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.79 -164.3 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 mm -82.11 -49.01 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -115.61 55.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -115.83 132.9 56.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.2 m-70 -111.17 140.74 45.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.598 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.852 ' HG ' HD11 ' A' ' 81' ' ' LEU . 50.4 mt -88.24 131.28 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.658 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.7 m-85 -117.29 125.14 50.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.28 114.12 27.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.912 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -162.88 173.94 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.598 HG21 ' HG2' ' A' ' 53' ' ' GLU . 67.9 p -65.55 -178.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.87 -32.34 51.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -0.88 42.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 m -114.41 -14.43 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.516 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.9 t80 -48.87 -43.89 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.96 -26.9 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.14 -8.37 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.912 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.6 mt -73.4 143.64 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 100' ' ' PRO . 76.1 t -131.16 143.19 48.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.95 129.83 12.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -59.81 162.18 10.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -138.74 46.41 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.62 -173.54 2.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.42 43.6 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -129.27 114.19 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.556 ' O ' HG12 ' A' ' 107' ' ' VAL . 89.6 t 44.68 56.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.69 120.48 0.42 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 98.24 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -133.04 128.95 5.28 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -66.43 168.92 8.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 30.7 m -66.36 94.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 178.97 134.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 116' ' ' GLY . 2.6 pt -103.35 -30.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t 54.34 60.92 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.585 ' O ' HD12 ' A' ' 114' ' ' ILE . . . 91.12 172.48 43.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -61.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.95 125.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.2 131.69 51.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -40.51 124.83 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.29 142.45 58.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.948 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.69 -122.24 4.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.85 95.95 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.42 150.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.08 138.81 3.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.709 ' HB3' HD12 ' A' ' 28' ' ' LEU . 95.1 m-20 -116.34 69.51 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.31 147.95 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -146.94 177.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.43 101.5 8.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' HD11 ' A' ' 24' ' ' ILE . 46.1 t -74.03 152.17 40.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -132.71 113.75 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 39' ' ' VAL . 32.6 t -99.32 100.57 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 20.9 m-85 -75.26 123.74 25.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.477 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.1 mmt -73.38 166.47 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.771 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.04 -11.3 21.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -106.87 11.79 29.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.2 m170 67.28 81.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.01 82.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 6.2 p90 -86.85 176.83 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.2 m -135.23 173.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.445 ' OG1' ' NH1' ' A' ' 13' ' ' ARG . 2.2 m -111.61 118.64 36.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.526 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -130.76 132.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -91.5 111.4 22.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -132.15 165.8 23.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.76 173.37 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 8' ' ' ASP . 16.1 mt -87.2 45.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -146.16 -45.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.895 ' HB1' ' HB3' ' A' ' 34' ' ' ASP . . . -40.1 122.63 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -73.36 173.91 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.656 HG22 HD23 ' A' ' 58' ' ' LEU . 2.3 t -48.19 -50.86 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 9.1 pt20 -57.16 -46.19 82.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.895 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -51.83 -59.15 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 24' ' ' ILE . 5.6 mt -51.88 -55.27 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.2 mt -40.54 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.11 -44.29 63.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' ILE . 70.9 m -67.44 -46.66 72.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 109.968 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 14' ' ' VAL . 61.0 t -62.46 -58.38 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.536 HG23 ' CZ ' ' A' ' 45' ' ' TYR . 3.3 m -38.95 -35.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -50.35 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.07 -38.7 68.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 43' ' ' LEU . 3.4 mm? -62.89 140.9 58.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -71.89 85.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CZ ' HG23 ' A' ' 40' ' ' THR . 3.8 m-85 -98.43 80.0 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m -127.35 -80.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -114.96 65.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' CD ' ' HB3' ' A' ' 50' ' ' ALA . 4.9 pt-20 -91.26 155.37 44.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.85 7.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HB3' ' CD ' ' A' ' 48' ' ' GLU . . . -69.51 73.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.08 -55.39 24.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -165.8 166.81 17.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.287 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 68.0 166.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.532 ' OD2' HG21 ' A' ' 91' ' ' THR . 0.2 OUTLIER 61.62 121.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t -115.19 -146.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -145.87 132.17 19.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -126.3 149.32 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 32' ' ' VAL . 13.8 tp -88.16 149.79 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 95' ' ' TYR . 53.9 t -152.72 146.52 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.36 121.01 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 100' ' ' PRO . 26.2 t -116.91 134.46 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -106.6 163.92 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.15 67.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 m -174.2 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.42 38.27 0.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.17 97.6 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -89.41 139.67 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 68' ' ' VAL . 27.4 t -134.86 88.82 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.51 111.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB3' HG21 ' A' ' 32' ' ' VAL . 42.6 mt -83.29 175.96 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -130.62 154.85 81.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.2 p -118.66 42.82 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -84.5 -176.24 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -121.21 -64.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 96.2 m -127.4 104.96 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -94.37 -60.34 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.742 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.4 m-30 -40.69 -28.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -89.01 -48.83 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -45.4 -52.46 10.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD21 HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -40.13 136.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.81 -161.51 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.48 -57.52 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -104.38 53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -121.3 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -120.43 146.21 46.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.76 HD21 HD21 ' A' ' 81' ' ' LEU . 43.2 mt -88.11 144.03 26.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.499 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.9 m-85 -132.79 120.32 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.72 114.38 28.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.976 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.2 p -161.48 174.0 14.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.337 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.532 HG21 ' OD2' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -77.73 168.25 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -41.03 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -7.72 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.9 m -107.85 -25.82 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.043 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -48.01 -44.09 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -75.72 -20.36 58.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.24 8.48 21.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.976 HD21 ' SG ' ' A' ' 90' ' ' CYS . 72.2 mt -82.09 146.58 29.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.617 HG13 ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -136.34 142.19 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.617 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 132.25 15.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -51.81 164.49 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -154.77 99.97 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 -169.33 2.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.575 ' O ' HG22 ' A' ' 105' ' ' ILE . 4.0 mp -100.06 49.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -142.74 -176.3 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 107' ' ' VAL . 34.4 m -55.03 93.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.95 118.48 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 66.22 6.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.46 1.768 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -128.93 113.79 1.63 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.99 128.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.38 160.5 13.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 115' ' ' SER . 2.0 tt0 -99.39 153.77 18.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.1 mm 66.57 -75.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.6 OUTLIER 72.05 150.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -178.52 97.37 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.21 42.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.9 p -149.5 78.03 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 55.9 p -83.44 156.69 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 p -93.49 120.41 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 64.21 93.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.012 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.15 -114.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -154.88 98.49 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.48 -65.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.058 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.79 179.95 29.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.441 ' HB3' HD12 ' A' ' 28' ' ' LEU . 42.9 m-20 -134.05 62.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.78 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mt-10 -79.08 153.82 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.791 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.8 pt -150.48 176.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.535 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 77.3 m-85 -117.0 101.36 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 1.8 t -80.27 149.5 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 108.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -137.55 126.94 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.98 ' CG2' HG21 ' A' ' 39' ' ' VAL . 55.0 t -101.43 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 15.6 m-85 -75.05 121.78 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.473 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.2 mmt -72.45 165.86 47.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.686 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.0 Cg_endo -75.03 -11.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.426 1.751 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.62 12.83 25.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m170 67.47 84.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 t -175.61 81.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -89.7 178.67 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.47 173.7 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -112.81 119.85 39.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.02 135.31 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.3 ttm180 -87.8 112.65 22.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -132.22 166.61 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -104.42 173.33 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 8' ' ' ASP . 23.5 mt -91.55 38.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -131.62 -44.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.647 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -49.59 177.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.2 p -126.29 174.26 8.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 77' ' ' VAL . 3.3 t -43.95 -46.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -49.18 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.647 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -46.42 -68.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -41.81 -60.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.6 mt -42.48 -50.72 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.79 48.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -61.12 -53.98 50.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.98 HG21 ' CG2' ' A' ' 14' ' ' VAL . 22.2 t -54.63 -58.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.4 m -42.47 -38.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -42.77 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.4 mmmt -61.93 -37.61 85.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.9 159.86 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 1.5 mp0 -64.53 97.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.37 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 46.6 m-85 -161.47 94.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 t -138.14 -64.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.24 55.62 1.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.52 162.76 19.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 2.8 6.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.95 71.02 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.09 -56.36 12.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.43 1.081 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 177.47 111.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -177.78 82.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 179.21 -48.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 m 61.42 125.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt -112.35 141.53 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 6.7 pt -107.55 146.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' C ' HG23 ' A' ' 59' ' ' VAL . 11.5 tp -88.53 151.81 22.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -154.51 132.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 121.53 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.414 HG12 ' HB3' ' A' ' 100' ' ' PRO . 57.4 t -115.6 145.01 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -122.35 167.63 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.9 p -68.23 69.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -177.69 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.63 17.91 5.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.01 97.42 8.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 0.787 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -89.81 143.02 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 68' ' ' VAL . 36.9 t -136.06 88.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.09 109.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.588 HD13 HG11 ' A' ' 77' ' ' VAL . 52.8 mt -85.07 176.83 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -141.37 158.36 63.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.3 p -120.27 44.06 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -84.01 -177.51 6.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.168 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -112.46 -65.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.61 104.15 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.588 HG11 HD13 ' A' ' 70' ' ' LEU . 3.9 t -94.43 -61.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.791 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -38.69 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.5 m -87.43 -49.98 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.72 -46.21 40.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.961 HD21 HD21 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -40.52 123.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.57 -167.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.4 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.9 mt -74.74 -52.64 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' ND2' HG22 ' A' ' 83' ' ' ILE . 2.9 m120 -112.11 51.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -112.47 138.33 49.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -119.35 145.91 45.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.961 HD21 HD21 ' A' ' 81' ' ' LEU . 71.6 mt -88.53 137.75 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HD2' HD22 ' A' ' 98' ' ' LEU . 13.0 m-85 -126.97 119.97 27.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' ILE . . . -106.49 114.88 29.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.873 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.8 p -159.01 174.21 15.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 108.272 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.5 p -63.52 -169.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -87.22 -27.19 23.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -6.77 58.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 m -105.37 -15.67 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.9 t80 -49.77 -41.87 45.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -31.74 59.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.62 -11.22 52.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.873 HD21 ' SG ' ' A' ' 90' ' ' CYS . 58.1 mt -65.71 140.29 58.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 100' ' ' PRO . 58.1 t -129.46 141.65 42.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.96 130.64 13.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -54.8 164.05 1.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 16.0 tt0 -139.03 105.73 5.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 103' ' ' GLU . 32.2 mt-10 -160.43 -173.26 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 mp -97.3 45.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.5 OUTLIER -121.94 -156.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 m -52.47 93.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 106' ' ' GLN . 72.0 p -171.04 146.17 2.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 83.44 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.0 170.84 55.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -177.17 89.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.9 m 63.72 123.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.29 169.5 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.1 mt 65.79 89.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.19 -61.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -178.06 156.95 20.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 83.66 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.0 t -87.73 163.02 16.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.5 p -101.89 133.24 46.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.11 96.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.6 98.72 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.81 172.86 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -172.41 -62.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.23 110.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.31 -144.92 4.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.83 76.56 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -73.77 145.93 44.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.634 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -147.48 173.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.63 100.71 8.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 152.85 22.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 1.7 mpt_? -136.54 120.0 16.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.016 ' CG2' HG21 ' A' ' 39' ' ' VAL . 73.5 t -92.04 101.9 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.533 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 15.4 m-85 -71.44 119.29 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 28.9 mmt -72.93 165.56 51.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.838 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.99 -11.72 21.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.88 10.67 32.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.6 m170 67.67 82.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 t -176.43 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 22.9 p90 -86.3 178.53 7.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -139.93 156.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 125.68 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.68 132.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -88.49 107.39 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 10' ' ' ILE . 22.6 t -132.15 160.86 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 149.68 21.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.752 HD23 ' HB2' ' A' ' 78' ' ' PHE . 2.5 mt -58.29 -26.22 62.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -45.32 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -44.17 163.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -117.82 169.76 9.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.543 HG13 HD22 ' A' ' 58' ' ' LEU . 5.0 t -40.19 -47.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -47.99 -62.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -41.05 -65.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.7 mp -42.5 -58.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.1 mt -42.49 -62.61 0.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.96 -42.3 38.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -64.43 -58.04 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.016 HG21 ' CG2' ' A' ' 14' ' ' VAL . 32.1 t -52.33 -46.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 m -41.64 -42.55 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.62 -42.22 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.3 mmtt -61.97 -37.93 86.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.681 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? -58.69 137.23 57.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.9 74.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' A' ' 43' ' ' LEU . 13.5 m-85 -129.9 99.37 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.0 t -94.5 173.09 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.047 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 76.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -129.81 162.44 53.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 2.19 6.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.38 -179.93 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.32 -53.55 4.87 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.58 -61.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 50.21 94.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.35 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -89.22 -61.3 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 92.7 p -170.36 126.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.08 129.63 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 8.3 pt -109.04 146.66 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 89' ' ' ALA . 9.3 tp -88.55 157.06 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' C ' ' A' ' 58' ' ' LEU . 99.4 t -156.94 142.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.44 121.33 44.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 67' ' ' LYS . 83.4 t -119.12 130.94 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.3 167.4 9.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.0 p -70.33 69.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.84 -38.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.99 36.38 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -105.02 102.03 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HG2' HG22 ' A' ' 61' ' ' VAL . 7.0 mtmm -92.61 135.21 34.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 68' ' ' VAL . 24.5 t -130.98 88.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.15 109.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 70' ' ' LEU . 15.7 mt -85.39 176.28 8.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -134.48 156.86 78.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -5.93 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.821 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.23 44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -85.47 -175.49 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -117.14 -73.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 82.0 m -116.59 102.22 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.515 HG21 HG23 ' A' ' 32' ' ' VAL . 40.1 t -95.44 -68.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.752 ' HB2' HD23 ' A' ' 28' ' ' LEU . 10.3 m-30 -37.38 -32.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.9 m -87.34 -51.6 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -42.61 -49.31 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.94 133.44 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.5 -157.94 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mp -81.38 -52.28 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -114.82 56.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' HD13 ' A' ' 81' ' ' LEU . 8.5 m -112.16 142.17 44.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.526 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.5 m-70 -122.09 139.64 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 81' ' ' LEU . 58.2 mt -87.98 127.81 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.617 ' HZ ' HD23 ' A' ' 101' ' ' LEU . 65.1 m-85 -119.67 118.66 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -107.75 114.34 28.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.941 ' SG ' HD21 ' A' ' 98' ' ' LEU . 30.0 p -157.02 173.62 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -62.6 176.24 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.44 59.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.44 -7.09 45.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -108.03 -16.11 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.3 t80 -49.15 -41.27 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.69 -19.14 42.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.62 1.15 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.941 HD21 ' SG ' ' A' ' 90' ' ' CYS . 44.3 mt -78.57 150.67 32.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.722 HG13 ' HD2' ' A' ' 100' ' ' PRO . 76.9 t -139.57 143.67 36.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.722 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 126.7 10.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.617 HD23 ' HZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -53.0 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -143.37 65.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.5 -174.06 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 105' ' ' ILE . 3.2 mp -106.91 45.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 -169.04 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.0 t -95.67 83.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.5 OUTLIER 167.45 -54.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.04 -172.21 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.45 162.07 28.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.49 176.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.774 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.4 t -113.27 143.82 43.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.05 163.05 2.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.43 176.83 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.38 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -131.62 157.34 22.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 173.15 15.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.4 m -88.45 134.79 33.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.955 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.5 t -64.5 149.84 47.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -167.37 127.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.31 125.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.69 -130.68 6.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -125.87 86.53 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.964 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -180.0 157.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.24 -105.09 0.21 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.564 1.165 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' CB ' HD12 ' A' ' 28' ' ' LEU . 11.4 m-20 42.45 77.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.0 mt-10 -77.3 147.78 36.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.688 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -149.39 174.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 52.9 m-85 -117.27 101.32 8.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.503 ' HB3' HD11 ' A' ' 24' ' ' ILE . 11.0 t -76.54 144.19 39.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.7 mpp_? -127.22 119.24 25.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.992 ' CG2' HG21 ' A' ' 39' ' ' VAL . 79.4 t -97.05 98.8 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.7 m-85 -71.51 127.01 31.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.462 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mmt -78.16 166.21 44.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.754 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.01 -11.68 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -107.3 13.46 27.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.7 m170 66.91 82.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.45 85.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 33.8 p90 -87.12 178.09 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 m -139.24 163.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -102.26 122.6 44.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -132.98 137.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -85.71 110.65 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -132.5 161.84 32.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HG2' ' CG ' ' A' ' 9' ' ' GLU . 31.1 mtt180 -109.57 172.28 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 78' ' ' PHE . 15.3 mt -87.41 44.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . 94.6 p -139.12 -45.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.61 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.462 ' O ' HD12 ' A' ' 35' ' ' ILE . 1.7 p -132.14 171.34 13.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.088 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.5 t -39.87 -51.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -44.6 -62.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.538 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -42.65 -67.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 mt -42.26 -61.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 36' ' ' LEU . 13.1 mt -40.88 -46.57 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.11 -57.17 12.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 m -53.39 -36.71 61.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.992 HG21 ' CG2' ' A' ' 14' ' ' VAL . 15.8 t -74.32 -60.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.643 ' HA ' HD23 ' A' ' 43' ' ' LEU . 53.6 m -38.19 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 30.1 mt-10 -67.21 -49.75 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.0 mmmt -53.37 -36.39 61.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.5 mm? -59.03 163.62 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -108.4 104.01 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -118.23 124.66 48.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.09 161.87 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.5 73.46 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -121.63 160.54 45.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.12 6.97 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.84 175.91 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.86 -56.89 0.56 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.75 107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -124.8 144.16 50.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -153.92 -51.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.8 p 175.03 133.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.71 134.57 53.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.72 146.57 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.528 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.0 tp -88.5 152.12 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 95' ' ' TYR . 61.3 t -154.69 134.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.78 120.96 35.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -114.32 137.02 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.83 169.41 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -14.39 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -101.59 30.02 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.69 47.11 9.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.39 99.44 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -91.56 131.45 36.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 t -131.35 96.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.67 109.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 mt -84.57 175.15 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -134.43 157.61 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.34 9.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.4 p -122.97 46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 17.8 mm-40 -85.53 -176.65 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -117.61 -69.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 64.6 m -120.65 100.84 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.402 HG21 HG23 ' A' ' 32' ' ' VAL . 21.7 t -95.18 -66.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.688 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.3 m-30 -38.67 -31.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -86.67 -48.1 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.441 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -44.25 -49.81 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.788 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.8 137.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.79 -161.66 5.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.69 -55.37 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.53 56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.8 m -118.4 141.86 48.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -123.27 146.41 47.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.788 HD21 HD21 ' A' ' 81' ' ' LEU . 44.6 mt -88.82 137.98 31.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 98' ' ' LEU . 10.0 m-85 -126.84 123.93 38.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.35 114.74 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.89 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -161.44 173.53 14.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.6 p -66.47 -167.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -86.64 -34.72 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -76.83 -7.8 56.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ALA . 34.2 m -107.28 -24.58 11.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.4 t80 -42.54 -41.53 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -79.58 -31.0 41.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -67.02 -10.79 53.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.89 HD21 ' SG ' ' A' ' 90' ' ' CYS . 62.9 mt -65.03 149.8 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 100' ' ' PRO . 80.3 t -136.01 142.98 42.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.04 127.85 10.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -52.08 165.03 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.68 62.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -147.85 -174.27 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 105' ' ' ILE . 5.2 mt -106.8 42.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -129.42 91.25 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.5 t 61.38 81.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.13 167.25 5.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.22 13.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.55 166.13 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -106.14 118.71 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 p -59.66 105.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.46 135.34 57.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.9 pt 41.4 62.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 t -95.48 143.08 27.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.29 157.91 15.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 134.49 17.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 12.4 t -125.52 -57.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.05 88.3 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m 54.97 86.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -164.71 91.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.96 -55.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 m 69.54 -68.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -111.81 145.64 39.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.7 -152.36 24.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.534 ' CB ' HD12 ' A' ' 28' ' ' LEU . 15.0 m-20 -122.44 81.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 5.2 mt-10 -75.88 145.06 40.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.636 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -149.03 161.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -104.09 101.49 11.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.514 ' HB3' HD11 ' A' ' 24' ' ' ILE . 50.7 t -78.02 152.9 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -137.28 119.12 15.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.831 ' CG2' HG21 ' A' ' 39' ' ' VAL . 94.0 t -101.69 102.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 27.6 m-85 -72.58 125.46 27.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 31.7 mmt -71.28 163.71 63.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.64 4.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.6 14.91 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.626 ' NE2' HD22 ' A' ' 101' ' ' LEU . 21.9 m170 66.7 81.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.69 81.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -87.19 178.3 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.8 m -138.28 173.8 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -110.27 114.67 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.514 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.1 pp -126.95 134.22 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -88.5 111.71 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.5 t -131.5 159.91 36.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -99.46 174.03 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD12 ' CB ' ' A' ' 8' ' ' ASP . 16.8 mt -89.92 40.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -132.49 -44.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.683 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.81 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -132.62 175.88 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG23 HG21 ' A' ' 77' ' ' VAL . 3.7 t -43.24 -45.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.21 -61.39 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.683 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -40.79 -67.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.5 mp -42.78 -63.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.4 mt -40.08 -44.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.59 56.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -60.14 -45.7 92.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.831 HG21 ' CG2' ' A' ' 14' ' ' VAL . 54.7 t -63.79 -51.1 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.696 HG23 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 m -40.55 -37.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.96 -46.37 81.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.5 mmmt -57.94 -38.67 76.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.649 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? -57.29 140.08 51.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' TYR . 60.3 mt-30 -45.44 -47.23 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CZ ' HG23 ' A' ' 40' ' ' THR . 0.6 OUTLIER 36.49 85.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -174.0 -68.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -120.43 44.93 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.28 153.57 71.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.19 8.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.83 152.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.73 -36.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 70.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.757 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -140.41 170.69 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.15 -88.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -142.89 15.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt 62.31 132.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 pt -115.12 143.21 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.4 tp -90.08 149.34 22.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.531 HG21 ' CD2' ' A' ' 95' ' ' TYR . 39.3 t -153.25 136.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.57 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG22 ' HG2' ' A' ' 67' ' ' LYS . 92.7 t -116.93 139.76 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.84 167.79 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 69.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.2 t -176.93 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.26 31.72 1.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -96.71 95.76 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 61' ' ' VAL . 7.0 mtmm -87.56 145.46 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -141.44 92.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.6 110.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.98 178.6 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 155.18 77.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -7.15 18.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 p -115.21 49.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -87.07 179.25 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.66 -55.43 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.3 m -141.47 104.6 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.646 HG21 HG23 ' A' ' 32' ' ' VAL . 21.9 t -93.84 -58.78 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -41.96 -32.31 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 m -83.66 -59.86 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -43.52 -45.18 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.75 131.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.14 -164.28 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 mm -86.23 -45.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.39 45.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 139.6 44.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -114.36 147.02 39.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.543 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 81' ' ' LEU . 41.9 mt -87.55 125.34 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' HD2' HD22 ' A' ' 98' ' ' LEU . 5.7 m-85 -115.21 130.25 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.08 113.73 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.909 ' SG ' HD21 ' A' ' 98' ' ' LEU . 8.2 p -154.99 174.57 14.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 p -64.36 -174.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -84.48 -17.85 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 2.51 44.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.0 m -113.67 -15.47 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.052 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.531 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.3 t80 -48.61 -39.08 22.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.81 -25.29 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.69 -6.8 50.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.909 HD21 ' SG ' ' A' ' 90' ' ' CYS . 47.0 mt -68.35 146.12 53.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -132.92 142.6 45.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.5 Cg_endo -74.97 127.67 10.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.626 HD22 ' NE2' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -58.58 163.62 4.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.42 115.86 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -155.21 -170.65 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 105' ' ' ILE . 9.6 mm -119.96 45.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -161.38 91.57 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 107' ' ' VAL . 97.0 t 61.25 58.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.6 t -172.44 100.18 0.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 77.12 3.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -140.16 163.77 26.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -92.78 99.95 12.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 t -65.19 131.9 47.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.9 147.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 114' ' ' ILE . 3.9 mp -117.13 66.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.39 87.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.03 -170.28 37.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 102.38 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.7 t -66.83 136.14 54.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.024 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 t -136.19 129.66 32.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.79 108.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.97 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -118.87 86.69 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.34 85.8 0.32 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -71.18 94.34 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -119.65 127.68 53.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.08 -151.38 6.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.934 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.9 m-20 -120.66 82.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mt-10 -67.82 147.6 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.4 pt -150.96 173.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -114.86 102.73 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 p -102.46 148.82 25.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 1.0 OUTLIER -126.22 140.13 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 39' ' ' VAL . 25.5 t -108.52 102.01 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 45.8 m-85 -68.93 149.76 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.9 mmt -101.19 164.83 15.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 4.64 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.31 15.67 11.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 m170 66.92 76.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.09 109.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.448 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 6.4 p90 -114.85 172.16 7.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 27.5 m -132.47 164.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -103.27 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.759 HD11 HG23 ' A' ' 35' ' ' ILE . 6.3 pt -126.62 141.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -99.79 110.35 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -132.02 169.21 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -99.01 173.9 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.934 HD12 ' HB2' ' A' ' 8' ' ' ASP . 52.3 mt -84.06 48.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -149.42 -45.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' A' ' 34' ' ' ASP . . . -39.87 128.97 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' VAL . 9.5 p -83.79 166.05 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.576 HG22 HD23 ' A' ' 58' ' ' LEU . 2.6 t -39.84 -47.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -53.33 -56.52 15.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.722 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -43.14 -60.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.759 HG23 HD11 ' A' ' 24' ' ' ILE . 2.7 mp -49.83 -59.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' ILE . 18.7 mt -39.66 -43.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -49.22 63.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -59.02 -41.81 88.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.677 HG21 ' CG2' ' A' ' 14' ' ' VAL . 55.3 t -71.66 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' VAL . 18.6 m -37.88 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.07 -50.72 70.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 8.9 mmmt -53.62 -39.93 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' CD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mm? -59.58 -173.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -126.58 97.77 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -141.52 178.67 7.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.7 p -103.23 168.15 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -104.72 71.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -103.85 160.11 27.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ALA . 18.3 Cg_endo -74.95 75.13 3.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' PRO . . . 40.37 64.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.78 -50.83 4.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -51.36 -52.86 41.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 63.99 76.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -146.98 -46.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m 70.57 132.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.89 151.51 19.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 2.5 pt -124.74 139.72 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 89' ' ' ALA . 13.4 tp -89.94 150.89 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 95' ' ' TYR . 38.4 t -150.18 143.93 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.34 120.42 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 100' ' ' PRO . 39.3 t -115.92 127.41 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 p -100.55 177.18 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.7 p -67.74 -9.34 43.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 t -100.45 1.13 40.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.65 32.62 57.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -88.24 99.9 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -86.4 135.84 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.57 99.39 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 110.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.37 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 32' ' ' VAL . 14.5 mt -82.24 176.38 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -131.44 154.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 p -118.72 42.16 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.78 -177.39 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.83 -73.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 97.5 m -102.42 93.5 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.0 t -95.34 -66.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.2 m-30 -46.22 -24.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -90.48 -53.76 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -46.38 -50.81 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.46 140.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.63 -163.81 3.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.65 -58.0 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.6 54.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -115.84 126.46 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.964 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -104.9 140.14 38.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 81' ' ' LEU . 53.4 mt -87.95 133.85 33.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' HD2' HD22 ' A' ' 98' ' ' LEU . 11.6 m-85 -122.71 118.01 27.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.616 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -112.59 113.71 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.852 ' SG ' HD21 ' A' ' 98' ' ' LEU . 9.9 p -160.53 176.6 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 p -61.04 161.2 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -69.52 -12.12 61.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.4 -3.67 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.452 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.1 m -117.09 -8.51 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.2 t80 -55.93 -38.37 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -6.43 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.59 13.87 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.852 HD21 ' SG ' ' A' ' 90' ' ' CYS . 20.3 mt -84.81 143.29 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.495 HG13 ' HD2' ' A' ' 100' ' ' PRO . 43.0 t -130.7 141.06 40.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.527 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.3 Cg_endo -74.95 129.26 12.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -58.02 162.17 5.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.521 1.8 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 58.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.75 -169.44 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.92 48.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.81 68.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 107' ' ' VAL . 95.8 t 58.81 65.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.2 p 179.25 111.84 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 93.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.802 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.14 151.21 22.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -165.86 152.61 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.8 m 46.23 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.61 173.72 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 114' ' ' ILE . 5.4 mp -111.11 -63.56 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.3 t -127.27 170.58 12.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -144.29 -162.13 9.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -53.64 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 -58.64 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.35 85.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -126.06 103.64 7.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -174.83 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.15 169.85 11.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.11 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.02 119.12 29.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.13 97.03 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.4 -177.81 25.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.87 ' HB2' HD12 ' A' ' 28' ' ' LEU . 30.3 m-20 -131.03 80.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 -65.11 146.42 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.615 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -151.72 170.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 31.8 m-85 -111.82 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 42.6 t -73.23 145.12 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -124.27 119.32 28.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.056 HG21 HG21 ' A' ' 39' ' ' VAL . 55.7 t -102.47 98.71 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 22.2 m-85 -70.81 139.98 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 16' ' ' MET . 25.9 mmt -89.19 166.02 23.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.734 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.97 -11.71 21.56 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.72 15.89 25.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.6 m170 66.66 78.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.8 t -175.78 96.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 17.4 p90 -95.2 178.32 5.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.06 169.63 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -110.06 123.84 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.502 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -137.21 127.72 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -81.5 112.06 18.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -132.2 169.14 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 3.2 ttm180 -102.7 178.11 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.87 HD12 ' HB2' ' A' ' 8' ' ' ASP . 17.7 mt -91.16 38.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.13 -45.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -42.93 146.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -100.13 173.79 6.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 t -46.86 -48.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.17 -57.93 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.4 m-20 -43.15 -62.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.502 HG23 HD11 ' A' ' 24' ' ' ILE . 4.8 mt -47.93 -57.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.2 mt -40.4 -44.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.89 54.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -59.36 -55.57 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.056 HG21 HG21 ' A' ' 14' ' ' VAL . 63.2 t -48.55 -57.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.54 ' HA ' HD23 ' A' ' 43' ' ' LEU . 11.1 m -32.8 -54.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -57.93 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -46.12 -42.03 13.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.625 HD21 HG12 ' A' ' 39' ' ' VAL . 2.5 mm? -68.05 174.68 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -132.66 106.2 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 1.2 p90 -117.28 113.4 22.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.7 m -44.13 163.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.44 68.8 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.273 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.16 161.71 22.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 2.21 6.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.99 66.2 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.04 57.29 0.72 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -70.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.59 102.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -177.47 116.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 56' ' ' LEU . 1.3 m -135.62 13.06 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' SER . 4.9 mt 61.3 145.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.546 HD12 HD21 ' A' ' 69' ' ' LEU . 7.6 pt -112.21 146.67 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.554 ' CD2' HD22 ' A' ' 87' ' ' LEU . 9.0 tp -88.44 153.05 21.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.507 HG21 ' CD2' ' A' ' 95' ' ' TYR . 60.2 t -154.97 137.12 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.68 121.25 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 85' ' ' SER . 89.2 t -116.02 136.41 53.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.71 169.9 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t -62.2 -13.59 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.38 27.32 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.78 47.03 13.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.97 96.31 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -87.19 137.62 32.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.84 98.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 57' ' ' ILE . 0.8 OUTLIER -61.3 104.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -75.67 177.62 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -128.87 154.86 80.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -4.12 14.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 p -114.2 45.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.16 -178.66 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -126.06 -55.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.9 m -126.56 97.55 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 79' ' ' THR . 26.9 t -95.15 -63.62 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -41.24 -27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 77' ' ' VAL . 2.4 m -87.36 -43.95 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -52.09 -41.27 62.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -40.26 124.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.88 -166.98 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -74.32 -50.09 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -120.96 49.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 2.8 m -108.15 148.01 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.8 m-70 -124.88 144.58 50.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' A' ' 81' ' ' LEU . 36.4 mt -88.03 128.31 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.61 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.3 m-85 -117.68 125.43 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.8 114.76 28.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.898 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -161.99 172.93 15.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 p -73.2 179.52 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -72.2 -23.02 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -8.07 56.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' ALA . 6.3 m -108.28 -23.99 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -44.89 -42.82 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.35 -23.82 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.898 HD21 ' SG ' ' A' ' 90' ' ' CYS . 61.3 mt -73.91 148.32 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.653 HG13 ' HD2' ' A' ' 100' ' ' PRO . 95.9 t -134.63 142.51 42.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.0 130.35 13.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -57.94 163.65 4.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -140.94 91.27 2.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.69 -169.14 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 105' ' ' ILE . 65.8 mt -112.3 45.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.93 37.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.523 ' O ' HG22 ' A' ' 107' ' ' VAL . 5.2 p -171.11 57.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -173.85 162.38 3.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 82.96 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.8 172.4 13.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.7 159.62 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.793 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 m 60.4 105.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -169.72 119.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 45.2 mt -98.81 97.28 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.84 122.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.7 142.26 11.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.26 2.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.81 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.5 135.89 50.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.64 116.57 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.05 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -151.74 -59.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 0.732 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.32 130.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.57 54.42 4.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -175.21 99.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 0.729 . . . . 0.0 109.965 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -137.41 88.62 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.26 81.99 0.12 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.846 ' HB2' HD12 ' A' ' 28' ' ' LEU . 47.0 m-20 -133.97 74.34 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -68.08 142.67 55.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -146.07 177.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.6 m-85 -111.24 101.43 9.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.7 t -83.49 152.56 24.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.71 125.72 30.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.986 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.7 t -100.17 104.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 20.2 m-85 -72.82 150.19 42.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.443 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 30.1 mmt -103.91 165.6 13.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.11 15.12 28.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.0 m170 66.49 81.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.07 109.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -110.07 176.71 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -133.16 169.08 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 m -109.69 125.36 52.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.507 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -139.72 136.74 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -87.2 113.26 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.3 t -131.75 167.74 18.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 30' ' ' ALA . 75.4 mtm180 -114.15 144.13 43.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' A' ' 8' ' ' ASP . 6.5 mt -49.85 -25.88 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -70.58 -34.15 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -58.18 172.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.439 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.7 p -131.72 172.61 12.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.61 HG23 HG21 ' A' ' 77' ' ' VAL . 7.4 t -43.6 -46.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -49.19 -53.34 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.8 t0 -50.97 -66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.8 mp -43.21 -58.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.6 mt -46.73 -63.71 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.95 -48.75 9.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -61.87 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.986 HG21 ' CG2' ' A' ' 14' ' ' VAL . 42.0 t -43.45 -52.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' VAL . 54.2 m -37.72 -41.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.05 -50.74 72.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 11.0 mmmt -53.33 -39.91 64.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.611 ' CD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mm? -59.54 160.59 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 22.7 mp0 -87.43 75.04 9.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 44' ' ' GLN . 23.4 m-85 -140.47 179.75 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -95.17 169.93 9.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.29 39.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.259 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.96 101.15 15.38 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.25 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 18.5 Cg_endo -74.97 75.19 3.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 49' ' ' PRO . . . 177.11 65.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.24 48.11 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.46 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 49.24 78.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.44 -45.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.3 m 72.2 131.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.37 146.05 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -122.85 138.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 89' ' ' ALA . 5.6 tp -89.75 150.21 22.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -149.41 131.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.46 121.53 36.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 100' ' ' PRO . 40.4 t -115.35 130.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.2 t -114.77 165.94 12.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -24.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 28.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 41.04 31.65 0.5 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -84.43 97.94 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -83.56 135.66 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -134.08 99.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.951 HD12 ' CE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -62.21 99.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.8 mt -74.04 174.24 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -135.98 158.62 73.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.02 9.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.43 1.753 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.1 p -119.72 45.41 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -87.9 -179.99 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -108.99 -70.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.0 m -131.91 100.53 5.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 108.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.61 HG21 HG23 ' A' ' 32' ' ' VAL . 21.5 t -88.23 -56.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.651 ' HB2' HD23 ' A' ' 28' ' ' LEU . 10.8 m-30 -42.89 -27.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . 5.7 m -89.98 -57.29 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.91 -47.3 5.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.15 129.95 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.54 -159.05 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -92.05 -37.11 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -117.63 48.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.2 m -118.04 150.52 39.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 4.5 m-70 -132.28 145.8 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.643 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.871 HD21 HD21 ' A' ' 81' ' ' LEU . 62.2 mt -88.39 122.13 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.8 m-85 -114.84 122.69 47.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.841 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -112.19 115.83 29.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.939 ' SG ' HD21 ' A' ' 98' ' ' LEU . 15.0 p -161.68 173.89 14.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.5 p -69.08 169.73 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -68.61 -18.51 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.64 -5.32 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 m -117.81 -5.56 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.951 ' CE2' HD12 ' A' ' 69' ' ' LEU . 2.1 t80 -58.75 -40.93 85.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -12.22 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.16 7.78 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.939 HD21 ' SG ' ' A' ' 90' ' ' CYS . 49.4 mt -82.91 138.9 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 100' ' ' PRO . 41.4 t -126.06 141.33 39.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.2 Cg_endo -75.02 133.22 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -63.24 162.08 27.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -153.38 107.33 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -139.11 -174.01 3.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.753 ' O ' HG22 ' A' ' 105' ' ' ILE . 7.9 mt -105.33 42.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.22 116.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.5 t 63.18 133.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.2 p 73.48 140.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.453 ' CD ' ' OH ' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.04 138.12 22.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 151.39 148.78 4.89 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -137.26 172.36 13.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.753 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 52.8 m 62.09 162.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 56.3 97.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.2 pt -105.42 179.64 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 55.9 107.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -138.23 74.55 0.4 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' SER . 18.3 Cg_endo -74.96 105.82 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.6 m 57.72 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 117' ' ' PRO . 4.6 m 66.86 88.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.06 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 m -128.92 112.03 13.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.95 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.59 134.41 28.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.24 138.85 25.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 0.729 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -162.06 -53.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.04 -148.69 7.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.92 ' HB2' HD12 ' A' ' 28' ' ' LEU . 5.2 m-20 -127.59 82.15 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.76 142.95 54.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.786 HD11 ' CD2' ' A' ' 78' ' ' PHE . 3.1 pt -146.65 176.96 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 20.5 m-85 -116.34 101.72 8.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HB3' HD11 ' A' ' 24' ' ' ILE . 39.0 t -78.96 151.11 31.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -137.39 119.11 15.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.963 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.7 t -99.03 104.57 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 16.5 m-85 -75.14 122.8 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.0 mmt -73.68 166.01 47.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.758 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.02 -11.58 21.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.83 12.64 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' NE2' HD22 ' A' ' 101' ' ' LEU . 31.5 m170 66.68 81.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.12 87.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -91.19 178.8 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.88 172.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -110.18 119.47 39.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER -129.12 141.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -91.16 111.71 23.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 t -132.17 154.24 49.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.75 175.53 6.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.92 HD12 ' HB2' ' A' ' 8' ' ' ASP . 19.4 mt -90.78 38.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -136.55 -45.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -44.92 167.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -118.1 170.76 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.5 t -42.86 -48.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -47.13 -54.93 9.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.567 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -47.38 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -40.01 -55.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.4 mt -45.49 -51.95 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.79 17.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -54.76 -51.0 67.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.963 HG21 ' CG2' ' A' ' 14' ' ' VAL . 37.0 t -58.74 -56.44 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 m -44.36 -40.58 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.68 -37.33 81.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.6 mmmt -66.88 -36.66 82.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.07 173.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 5.8 mt-30 -105.02 76.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 44' ' ' GLN . 22.3 m-85 -139.49 175.18 9.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 p -122.73 172.95 8.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' GLU . 5.4 pt-20 -63.93 -19.98 65.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' GLU . 5.0 mm-40 58.51 154.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.86 8.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.36 71.7 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -42.2 -49.59 5.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.75 100.83 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -170.89 122.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.12 -70.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 77.52 133.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.87 140.16 29.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 pt -112.81 143.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' C ' HG23 ' A' ' 59' ' ' VAL . 13.8 tp -88.9 153.06 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -154.33 136.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 87' ' ' LEU . . . -96.74 121.29 38.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.37 129.39 71.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -109.93 167.38 10.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 t -66.89 69.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.6 OUTLIER -177.29 -36.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.021 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.74 13.49 6.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 95.98 4.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -90.39 133.95 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 t -129.43 90.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.25 110.81 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.4 mt -81.28 177.32 9.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -137.74 157.57 73.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -4.24 15.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -118.53 47.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.6 -179.34 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.97 -73.1 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 21.9 p -120.45 101.29 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.268 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.1 t -94.73 -66.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.786 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -39.17 -37.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 111.049 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 80' ' ' ALA . 2.4 m -80.54 -52.74 7.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -39.66 -55.49 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 85' ' ' SER . 0.2 OUTLIER -45.11 133.56 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.32 -136.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -105.73 -50.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -101.3 63.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' HD13 ' A' ' 81' ' ' LEU . 1.5 m -136.03 130.84 34.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.4 m-70 -113.82 139.52 49.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 60' ' ' ALA . 79.8 mt -87.92 139.54 30.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.61 ' HD2' HD22 ' A' ' 98' ' ' LEU . 13.2 m-85 -127.75 123.87 36.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.27 114.14 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.945 ' SG ' HD21 ' A' ' 98' ' ' LEU . 15.5 p -161.14 174.03 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.8 p -60.97 -171.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -27.15 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -12.79 57.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' ALA . 3.4 m -100.47 -21.91 15.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -45.19 -40.89 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.15 -25.03 40.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -73.76 -4.48 34.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.945 HD21 ' SG ' ' A' ' 90' ' ' CYS . 30.7 mt -74.12 145.71 44.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 100' ' ' PRO . 93.9 t -135.15 142.29 41.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.623 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 128.22 11.3 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' NE2' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -56.77 162.57 3.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -143.83 47.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -118.71 -173.81 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.261 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 105' ' ' ILE . 4.3 mp -112.38 46.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.404 ' C ' HG12 ' A' ' 107' ' ' VAL . 5.0 mt-30 -124.09 104.38 8.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 107' ' ' VAL . 11.2 p 41.24 50.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.3 t -166.06 83.04 1.01 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -43.71 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.455 1.766 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 39.94 65.25 0.95 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.6 t0 58.43 94.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.3 m -92.24 153.0 19.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.379 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 178.16 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.8 pt -123.11 133.6 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.6 m -101.28 123.47 45.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.35 98.67 0.12 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.1 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.451 1.763 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 144.07 55.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.8 t -143.65 143.49 31.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.153 . . . . 0.0 111.045 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.29 154.41 44.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -157.05 127.97 6.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.42 112.91 0.86 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.6 114.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -127.99 170.11 13.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.9 -157.58 26.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 28' ' ' LEU . 3.6 m-20 -125.21 81.84 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' ' CG ' ' A' ' 27' ' ' ARG . 4.0 mt-10 -72.77 149.83 43.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.0 pt -148.46 176.35 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -120.67 101.59 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' HD11 ' A' ' 24' ' ' ILE . 6.3 t -80.71 153.42 27.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -137.32 124.63 21.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.935 ' CG2' HG21 ' A' ' 39' ' ' VAL . 89.0 t -98.2 100.03 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.5 m-85 -71.32 123.39 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.475 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.2 mmt -75.46 165.84 50.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.788 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.97 -11.52 21.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 13.58 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.7 m170 66.7 82.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -175.58 85.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -90.08 178.68 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 171.64 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.14 122.65 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.1 pp -132.75 129.43 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -85.19 110.37 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -132.22 164.12 27.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' CG ' ' HG3' ' A' ' 9' ' ' GLU . 22.9 mtp180 -105.17 166.76 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 8' ' ' ASP . 6.2 mt -84.46 48.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -51.19 -178.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 p -130.11 171.94 12.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.638 HG22 ' CD2' ' A' ' 58' ' ' LEU . 3.1 t -41.35 -49.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -46.77 -56.85 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.643 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 13.5 t70 -47.96 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -42.8 -54.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.2 mt -48.73 -50.61 32.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.48 -46.64 93.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -61.74 -50.4 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.935 HG21 ' CG2' ' A' ' 14' ' ' VAL . 69.9 t -63.43 -59.01 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.657 ' HA ' HD23 ' A' ' 43' ' ' LEU . 30.9 m -38.23 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.84 -50.21 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.1 mmmt -53.01 -36.8 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.2 mm? -60.55 155.0 19.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -101.52 102.78 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -117.59 -54.86 2.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 p 177.89 -176.61 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.042 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.28 68.33 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.223 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 8.8 pt-20 -150.06 136.01 10.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 48' ' ' GLU . 18.4 Cg_endo -74.93 0.86 8.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.52 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.85 -53.59 0.6 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.7 81.14 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.73 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.74 87.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.75 -61.69 1.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.6 p 179.25 127.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt -139.41 140.65 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -120.6 146.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.638 ' CD2' HG22 ' A' ' 32' ' ' VAL . 15.9 tp -89.17 152.33 21.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 95' ' ' TYR . 25.5 t -152.57 145.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.38 120.99 43.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 67' ' ' LYS . 94.8 t -115.51 132.65 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -110.01 166.52 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.85 69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -177.15 -36.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.59 28.91 2.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.12 95.93 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 61' ' ' VAL . 4.1 mtmp? -88.75 142.72 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.79 99.17 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.5 107.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -80.26 175.95 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -134.66 157.17 77.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.6 p -122.67 48.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -85.13 -178.48 6.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -114.28 -64.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 67.9 m -132.15 102.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.521 HG21 HG23 ' A' ' 32' ' ' VAL . 32.7 t -94.05 -62.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.75 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -40.95 -30.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 m -90.39 -50.58 5.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -43.71 -52.38 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.729 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.47 140.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.63 1.48 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mt -77.61 -53.02 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -112.39 51.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.533 ' HB2' HD13 ' A' ' 81' ' ' LEU . 5.4 m -106.96 147.01 30.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -125.34 142.96 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.729 HD21 HD21 ' A' ' 81' ' ' LEU . 46.9 mt -89.45 138.75 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.46 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.1 m-85 -128.88 119.68 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.95 115.96 31.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.913 ' SG ' HD21 ' A' ' 98' ' ' LEU . 17.0 p -157.68 173.92 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 108.337 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -67.85 168.06 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -13.55 62.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.55 -10.11 25.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m -105.84 -14.49 15.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.535 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -55.82 -36.23 67.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.65 -8.02 59.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.16 16.01 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.8 mt -89.43 149.38 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 100' ' ' PRO . 77.9 t -137.83 142.86 37.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 139.65 24.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -64.35 162.83 29.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -164.64 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -126.84 129.09 47.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -141.2 -170.65 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.552 ' O ' HG22 ' A' ' 105' ' ' ILE . 5.1 mp -110.18 53.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.33 109.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.43 110.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.3 m 64.5 137.23 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 68.06 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.39 -138.3 2.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -102.28 116.83 33.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.75 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.2 t -153.89 166.77 31.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.92 161.75 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 mp -47.07 110.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.25 123.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 168.18 81.2 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.37 3.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.82 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.1 p 39.72 89.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 t -103.89 -57.82 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -95.88 -58.16 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.52 101.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.35 77.91 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.118 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -56.79 -62.68 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 110.049 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 p -72.77 149.86 43.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 173.56 41.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.492 ' CB ' HD12 ' A' ' 28' ' ' LEU . 1.2 m-20 -141.24 79.71 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -61.87 145.4 52.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.928 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.6 pt -145.37 175.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 88.7 m-85 -116.54 101.07 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -98.62 157.07 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.319 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -134.47 158.63 43.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.947 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.6 t -132.25 99.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.635 ' CD1' ' CB ' ' A' ' 21' ' ' TYR . 4.3 m-85 -67.6 157.75 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.9 mmt -106.16 166.52 11.09 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.96 -11.33 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.08 15.83 26.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.5 m170 66.88 80.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.01 103.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 15' ' ' TYR . 15.1 p90 -110.76 171.63 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 22.4 m -136.98 168.41 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.86 130.27 55.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.854 HD11 HG23 ' A' ' 35' ' ' ILE . 1.2 pt -135.76 143.97 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.2 ttt180 -98.03 114.03 26.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -132.15 169.05 16.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.98 147.09 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.492 HD12 ' CB ' ' A' ' 8' ' ' ASP . 4.4 mt -59.38 -16.6 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -100.45 29.59 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.69 -179.35 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.3 m -133.15 158.54 42.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.574 HG22 HD22 ' A' ' 58' ' ' LEU . 2.7 t -39.67 -47.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -50.78 -60.4 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -42.73 -63.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.854 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 mt -48.53 -59.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.3 mt -39.84 -67.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.78 -50.1 5.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -60.16 -37.17 79.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.043 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 ' CG2' ' A' ' 14' ' ' VAL . 71.9 t -72.49 -54.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -41.92 -35.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -45.19 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.3 mmmt -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.2 mm? -55.18 162.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -108.05 72.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -119.0 100.59 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 t -160.67 -59.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.56 56.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -126.61 162.87 44.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 2.3 6.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.68 80.36 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.74 -53.49 30.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.19 97.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -171.52 97.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -162.9 93.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.97 122.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -126.12 137.82 53.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -106.4 148.98 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.574 HD22 HG22 ' A' ' 32' ' ' VAL . 6.8 tp -88.82 149.31 23.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 95' ' ' TYR . 48.0 t -152.61 137.84 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.7 121.22 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.3 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' SER . 1.8 m -108.93 169.1 8.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 68.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.6 t -174.82 -38.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.92 3.71 8.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.66 97.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -90.92 143.24 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 t -138.88 99.64 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 111.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 31.4 mt -85.0 178.69 7.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -134.19 154.44 80.05 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.39 9.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -118.41 43.98 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.04 -178.29 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -127.64 -69.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.5 m -111.86 94.36 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 79' ' ' THR . 21.7 t -95.09 -62.86 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.928 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.6 m-30 -42.63 -27.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' VAL . 1.9 m -85.13 -57.91 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.46 5.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.21 130.68 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.08 -145.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.59 -52.67 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -101.06 61.49 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -123.66 133.6 53.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.34 133.22 55.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 58' ' ' LEU . 54.6 mt -88.23 110.19 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' HB3' HD13 ' A' ' 98' ' ' LEU . 13.8 m-85 -98.86 124.05 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.05 115.3 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.958 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -161.91 173.81 13.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 71.9 p -67.51 -177.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.83 51.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -10.65 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 97' ' ' ALA . 18.2 m -106.63 -18.93 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.955 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.521 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.5 t80 -47.24 -41.56 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.76 -21.6 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.75 -1.9 30.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.958 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.7 mt -75.13 144.8 42.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 100' ' ' PRO . 85.2 t -130.8 141.82 43.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.616 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 134.79 18.22 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -65.02 161.88 43.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.67 ' HD2' HG21 ' A' ' 107' ' ' VAL . 18.3 Cg_endo -75.0 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.11 174.08 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.77 143.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.8 mm -96.81 43.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.52 62.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.67 HG21 ' HD2' ' A' ' 102' ' ' PRO . 28.0 m -100.32 -173.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER 166.42 -53.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.98 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.15 -64.53 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -118.04 119.27 34.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.2 t -95.9 163.09 13.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.5 168.71 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.5 mt -97.88 -63.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.4 142.32 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -158.56 101.94 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.51 8.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.552 1.817 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 p 62.73 107.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.1 m -62.98 85.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.7 121.56 45.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -139.63 134.83 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.01 -172.61 29.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -168.77 106.24 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -111.54 125.32 53.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.29 107.61 0.71 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.598 ' HB2' HD12 ' A' ' 28' ' ' LEU . 2.1 m-20 -118.22 67.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.9 mt-10 -71.07 150.6 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.844 HD11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 pt -150.89 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -114.33 101.65 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.16 149.67 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -136.76 119.78 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.611 HG12 ' CE ' ' A' ' 16' ' ' MET . 81.0 t -97.42 101.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 41.1 m-85 -75.29 119.31 19.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.611 ' CE ' HG12 ' A' ' 14' ' ' VAL . 35.5 mmt -70.17 164.02 56.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.699 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.99 5.18 4.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.31 11.34 9.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.1 m170 66.75 83.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 t -175.76 77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -86.95 177.6 7.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.07 173.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -111.52 122.53 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -138.05 128.92 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -87.34 109.82 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 47.0 t -132.17 169.26 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -101.04 160.48 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 78' ' ' PHE . 3.4 mt -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ALA . 8.1 t -67.34 -43.43 81.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -39.98 129.14 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 p -92.66 162.62 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.533 HG22 HD22 ' A' ' 58' ' ' LEU . 4.0 t -39.99 -43.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -54.87 -52.67 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.34 -70.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 2.5 mp -42.06 -55.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.0 mt -45.37 -45.26 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.43 -47.99 66.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.55 -43.0 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.016 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG21 ' CG2' ' A' ' 14' ' ' VAL . 40.7 t -69.93 -51.54 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 17.5 m -45.75 -24.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -74.14 -35.57 64.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' VAL . 10.8 mmmt -69.1 -36.96 78.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 3.6 mm? -57.73 168.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -102.92 106.18 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CE1' ' O ' ' A' ' 40' ' ' THR . 0.5 OUTLIER -120.03 86.99 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -113.05 -179.34 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.47 62.72 6.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -98.94 153.11 37.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.42 7.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.782 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.27 59.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.18 58.16 0.71 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -76.27 100.03 4.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.4 126.78 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.81 -49.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 p 173.71 132.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.88 128.84 54.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pt -113.42 142.62 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 70' ' ' LEU . 7.8 tp -89.27 153.08 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.7 t -154.72 130.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.88 121.51 36.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.449 HG12 ' HB3' ' A' ' 100' ' ' PRO . 40.1 t -115.86 138.38 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -117.72 170.37 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 p -56.15 -19.85 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.8 p -92.31 11.65 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.06 64.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.22 99.88 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -85.05 141.05 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.18 96.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 109.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.651 HD12 HD23 ' A' ' 58' ' ' LEU . 21.7 mt -82.55 175.23 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -135.99 156.86 76.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.56 18.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 p -114.41 44.38 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -84.98 -179.72 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -120.1 -69.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -119.3 97.97 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 108.328 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.483 HG21 HG23 ' A' ' 32' ' ' VAL . 40.5 t -94.83 -64.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.844 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.0 m-30 -39.96 -28.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 77' ' ' VAL . 3.2 m -87.3 -55.85 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' THR . . . -39.62 -45.22 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.98 143.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -160.34 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.93 -47.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -122.62 50.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -105.47 142.69 34.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -121.44 143.85 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.576 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 81' ' ' LEU . 91.7 mt -88.2 147.91 24.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 8.6 m-85 -137.19 127.25 25.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -120.5 113.41 20.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.937 ' SG ' HD21 ' A' ' 98' ' ' LEU . 23.8 p -162.8 176.64 10.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.264 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.3 p -57.06 162.65 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -65.35 -39.93 92.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -9.44 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 29.4 m -100.97 -9.99 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.069 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -60.18 -38.11 82.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -82.39 -6.22 59.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.6 5.1 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.937 HD21 ' SG ' ' A' ' 90' ' ' CYS . 63.3 mt -73.32 133.39 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.481 HG13 ' HD2' ' A' ' 100' ' ' PRO . 61.9 t -123.79 138.99 31.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 131.88 14.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -57.76 163.31 4.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.0 41.37 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -117.82 -169.25 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.2 44.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.517 ' O ' ' C ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -122.62 103.28 8.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 107' ' ' VAL . 5.5 p 31.11 58.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -175.15 153.45 1.56 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.63 -61.92 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 112' ' ' THR . 0.7 OUTLIER 53.65 100.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 111' ' ' ASP . 9.0 t 45.11 -169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' N ' ' OG1' ' A' ' 112' ' ' THR . 2.4 tp10 178.02 160.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.51 124.73 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 m -158.87 -59.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 111.14 -143.99 17.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 111.17 3.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.77 163.84 14.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.85 134.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -116.69 -59.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 53.87 95.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.89 159.82 13.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.107 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.95 -61.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 142.83 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.64 109.91 0.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -131.06 65.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -89.1 152.61 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.1 pt -150.93 164.4 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.35 101.63 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 133.44 36.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.47 121.52 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.088 HG21 HG21 ' A' ' 39' ' ' VAL . 53.0 t -97.2 100.15 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.583 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.4 m-85 -68.99 154.25 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.6 mmt -107.8 164.26 15.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.96 4.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.49 13.52 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 m170 66.64 76.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.622 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -176.4 102.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -99.98 178.59 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.5 m -134.46 173.44 14.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -117.3 118.61 32.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 35' ' ' ILE . 1.6 pt -125.08 -177.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -136.72 111.53 8.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -132.01 169.37 16.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -95.23 149.82 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 78' ' ' PHE . 5.3 mt -61.08 -16.96 49.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.27 25.75 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.47 178.23 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -127.05 162.56 25.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 58' ' ' LEU . 3.0 t -43.54 -47.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -48.77 -61.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.12 -57.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 78' ' ' PHE . 3.4 mt -53.7 -60.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 36' ' ' LEU . 15.3 mt -41.13 -60.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.75 -43.48 22.6 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -66.71 -50.7 61.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.96 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.088 HG21 HG21 ' A' ' 14' ' ' VAL . 85.2 t -59.62 -57.68 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.624 ' HA ' HD23 ' A' ' 43' ' ' LEU . 5.6 m -36.02 -38.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -62.33 -49.99 73.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 39' ' ' VAL . 17.0 mmmt -52.22 -40.01 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 39' ' ' VAL . 3.2 mm? -58.49 163.38 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.88 104.66 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -117.46 121.49 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.3 m -101.75 174.9 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.18 80.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -133.81 161.57 62.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.45 7.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.73 87.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.48 -48.99 40.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -99.63 -50.94 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 117.12 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -162.49 90.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 61.0 m 64.9 127.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt -110.07 137.14 48.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -118.0 139.45 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 89' ' ' ALA . 12.1 tp -89.14 154.93 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 95' ' ' TYR . 65.4 t -155.23 132.6 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.71 121.47 37.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.486 HG12 ' HB3' ' A' ' 100' ' ' PRO . 24.6 t -118.24 134.46 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 165.54 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.28 66.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -173.4 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.13 39.69 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.86 96.42 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -88.63 138.13 31.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.5 t -133.85 89.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.88 112.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 70' ' ' LEU . 27.4 mt -88.08 177.79 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.22 155.92 79.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.24 9.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.443 1.76 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 p -118.83 43.35 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.16 -177.7 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.71 -72.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 71.8 m -105.45 94.39 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.04 -69.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -45.77 -24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -89.17 -53.6 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -49.36 -49.51 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -45.24 132.53 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.33 -153.56 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.3 mt -91.73 -57.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.441 ' H ' ' ND2' ' A' ' 84' ' ' ASN . 2.0 p30 -98.14 61.15 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 42.9 m -130.51 122.7 28.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.9 m-70 -103.42 138.11 40.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.564 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' TYR . 29.2 mt -88.13 126.09 34.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' HD2' HD22 ' A' ' 98' ' ' LEU . 14.4 m-85 -114.36 119.32 36.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.69 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -113.13 113.72 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.807 ' SG ' HD21 ' A' ' 98' ' ' LEU . 12.4 p -162.71 176.56 10.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.4 p -56.29 175.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -32.96 48.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -0.38 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.43 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 9.4 m -115.07 -1.87 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.499 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -64.31 -37.73 88.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.2 -13.46 59.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.54 -3.98 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.807 HD21 ' SG ' ' A' ' 90' ' ' CYS . 48.5 mt -69.32 135.57 50.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 100' ' ' PRO . 94.1 t -129.97 142.49 45.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.08 129.11 11.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -58.88 162.02 7.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.42 71.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -118.44 -172.62 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.562 ' O ' HG22 ' A' ' 105' ' ' ILE . 4.5 mp -110.1 40.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.35 119.12 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 107' ' ' VAL . 47.6 t 58.59 58.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.8 p -178.73 147.41 0.54 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -76.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.05 -96.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.48 85.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.9 m 54.46 92.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.44 110.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.2 mt 64.57 125.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 t -68.67 -46.22 69.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.88 91.2 1.86 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 60.76 5.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.7 p 53.75 174.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.78 -72.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.71 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -144.78 175.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.69 101.44 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.5 t -78.22 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -134.02 123.01 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.947 ' CG2' HG21 ' A' ' 39' ' ' VAL . 49.4 t -99.68 101.7 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 48.0 m-85 -69.51 127.14 31.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.1 mmt -80.1 165.18 48.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.728 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -13.19 21.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.43 13.4 31.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 m170 66.49 79.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.87 87.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.014 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -86.38 178.78 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.63 169.88 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -112.13 110.18 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 35' ' ' ILE . 1.3 pt -122.89 136.77 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -91.21 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -131.97 168.29 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.94 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.7 26.51 2.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -143.23 18.44 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.8 -163.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 p -146.64 165.4 29.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.3 -48.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 16.4 pt20 -59.51 -48.57 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 15.2 t0 -51.26 -60.65 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.525 HG23 HD11 ' A' ' 24' ' ' ILE . 5.5 mt -50.09 -58.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ILE . 28.0 mt -39.98 -59.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.73 -45.63 24.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 m -64.0 -60.95 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 ' CG2' ' A' ' 14' ' ' VAL . 78.6 t -51.52 -50.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.6 m -43.56 -39.51 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -39.78 95.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.23 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mmtt -63.72 -36.96 85.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.8 pt -113.88 143.78 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.738 HD21 HD13 ' A' ' 87' ' ' LEU . 11.8 tp -88.58 153.39 21.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' A' ' 95' ' ' TYR . 57.7 t -155.32 135.51 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.64 121.07 35.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 84.4 t -118.67 130.35 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -111.3 168.24 9.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -66.94 70.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.1 t -176.08 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.63 13.0 7.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.82 95.95 5.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -89.55 140.31 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.77 91.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.73 111.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.08 -179.45 7.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -131.77 155.84 80.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.01 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -115.71 46.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -87.62 -175.39 5.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -133.12 -72.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 93.9 m -108.07 97.92 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.02 -70.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.8 m-30 -38.64 -31.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -85.35 -49.15 8.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -47.84 -51.18 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 85' ' ' SER . 0.2 OUTLIER -52.04 124.57 13.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . -59.75 -141.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.76 -57.27 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.01 52.38 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.525 ' HB2' HD13 ' A' ' 81' ' ' LEU . 31.9 p -124.94 148.98 48.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -137.38 138.69 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.738 HD13 HD21 ' A' ' 58' ' ' LEU . 48.3 mt -88.0 135.75 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.602 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.0 m-85 -126.56 124.78 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.472 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -111.29 114.16 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.968 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.3 p -160.85 173.99 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.8 p -61.5 -175.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -32.42 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.48 -11.66 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 m -98.52 -21.46 16.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.3 t80 -45.17 -41.55 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -75.62 -38.9 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.968 HD21 ' SG ' ' A' ' 90' ' ' CYS . 60.8 mt -59.19 143.48 48.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 100' ' ' PRO . 80.5 t -132.86 142.66 45.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.79 163.32 1.14 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.677 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -149.26 177.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -115.83 101.19 8.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.485 ' SG ' HD12 ' A' ' 87' ' ' LEU . 7.5 t -78.02 142.26 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.57 ' CG ' ' CE2' ' A' ' 21' ' ' TYR . 1.3 mpt_? -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.833 ' CG2' HG21 ' A' ' 39' ' ' VAL . 12.7 t -90.21 100.76 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.563 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 9.6 m-85 -70.24 127.1 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -76.43 165.26 54.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 3.88 5.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.565 1.824 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -122.23 13.06 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m170 66.15 70.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -169.01 87.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' ' CG ' ' A' ' 13' ' ' ARG . 8.8 p90 -86.29 178.99 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.07 158.08 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -96.8 124.95 40.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.406 HG21 ' CG2' ' A' ' 39' ' ' VAL . 2.5 pt -128.39 -179.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -135.9 108.27 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -132.21 168.43 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -90.78 157.11 17.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -68.0 -23.84 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 23.63 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 -178.51 6.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 p -128.04 167.66 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.681 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.6 t -48.85 -48.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -49.49 -60.27 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -40.29 -57.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 78' ' ' PHE . 4.2 mt -53.66 -59.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 mt -45.8 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.09 -45.43 7.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.7 m -67.17 -68.11 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.943 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.833 HG21 ' CG2' ' A' ' 14' ' ' VAL . 40.7 t -41.35 -45.73 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -43.72 -41.59 4.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 2.7 mm-40 -60.43 -39.21 86.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' VAL . 25.7 mmmt -64.74 -37.04 86.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.507 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 1.9 pt -120.57 147.04 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.681 ' CD2' HG22 ' A' ' 32' ' ' VAL . 14.0 tp -89.82 149.25 22.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 95' ' ' TYR . 39.4 t -151.16 132.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.75 121.26 38.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' ' 100' ' ' PRO . 38.9 t -115.96 135.93 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.89 167.15 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m -70.98 66.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -173.43 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.61 39.87 0.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -107.31 96.77 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -87.11 143.98 27.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.3 t -140.0 90.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.36 110.36 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 70' ' ' LEU . 24.4 mt -82.43 176.38 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.53 153.25 77.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 p -116.67 40.39 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.54 -176.1 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 13.2 t0 -132.79 -71.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 94.6 m -106.86 96.82 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 108.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' THR . 37.6 t -95.24 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.0 m-30 -38.18 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.1 m -84.3 -52.12 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -50.31 -45.02 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.56 143.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.05 -166.49 17.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.56 -50.38 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.8 57.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 56.7 m -121.65 130.27 53.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -109.09 143.35 38.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.574 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 81' ' ' LEU . 36.7 mt -87.71 120.57 29.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 98' ' ' LEU . 10.7 m-85 -112.74 125.24 54.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -120.97 114.01 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.998 ' SG ' HD21 ' A' ' 98' ' ' LEU . 8.1 p -157.12 176.23 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.6 p -65.51 154.87 37.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -31.68 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -0.84 33.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.433 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 7.8 m -119.48 -5.83 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.4 t80 -59.97 -40.26 88.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.36 -12.86 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.59 -3.94 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.998 HD21 ' SG ' ' A' ' 90' ' ' CYS . 51.9 mt -69.51 146.92 51.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.718 HG13 ' HD2' ' A' ' 100' ' ' PRO . 60.5 t -138.95 143.48 37.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.718 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.97 133.69 16.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -56.22 161.99 3.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.805 HD11 ' CD2' ' A' ' 78' ' ' PHE . 5.3 pt -145.68 176.57 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 63.4 m-85 -111.89 101.42 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.8 t -83.66 150.11 26.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -136.76 114.51 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 39' ' ' VAL . 98.1 t -89.47 106.15 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 17.9 m-85 -73.25 120.64 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.486 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 28.5 mmt -73.08 166.42 43.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.796 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.99 -11.24 21.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -106.02 10.57 32.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 62.5 m170 67.59 82.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.94 85.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 32.4 p90 -87.0 178.73 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.571 HG11 ' HB3' ' A' ' 42' ' ' LYS . 35.0 m -135.01 172.86 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -111.03 111.1 21.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.898 HG22 ' HE2' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -125.51 138.76 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.2 ttm180 -96.57 116.59 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -132.2 167.73 19.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.56 144.89 24.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.0 mt -61.29 -16.49 46.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.84 27.46 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.88 174.9 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.3 m -120.04 172.8 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.57 -50.22 41.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -48.78 -60.56 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.14 -59.27 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 24' ' ' ILE . 5.2 mt -49.8 -60.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ILE . 21.2 mt -39.98 -56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.01 -44.47 25.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' HD13 ' A' ' 24' ' ' ILE . 7.4 m -69.29 -50.2 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 14' ' ' VAL . 46.0 t -56.55 -53.68 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.501 ' HA ' HD23 ' A' ' 43' ' ' LEU . 40.5 m -33.51 -55.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.84 -53.0 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.898 ' HE2' HG22 ' A' ' 24' ' ' ILE . 11.6 mptt -50.5 -41.05 52.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD21 HG12 ' A' ' 39' ' ' VAL . 2.8 mm? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.6 pt -116.8 143.0 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 89' ' ' ALA . 6.4 tp -88.94 146.06 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.589 HG21 ' CD2' ' A' ' 95' ' ' TYR . 47.1 t -146.67 139.72 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.85 121.06 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.4 t -115.26 135.3 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.71 165.92 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.46 67.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.41 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.81 35.5 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.49 95.89 7.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.767 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -88.73 138.92 30.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 68' ' ' VAL . 16.3 t -137.83 88.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.51 110.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.6 mt -79.82 -179.86 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -134.72 154.68 79.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.07 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p -117.5 43.05 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -85.37 -175.3 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -130.6 -70.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 74.7 m -112.19 97.38 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.86 -64.75 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.805 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.8 m-30 -42.01 -28.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 m -90.39 -51.23 5.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -45.43 -44.81 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -43.48 140.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.74 -153.76 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.54 -56.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -109.93 45.97 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -105.99 128.15 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -108.85 146.74 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 81' ' ' LEU . 12.6 mt -88.15 137.92 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.587 ' HD2' HD22 ' A' ' 98' ' ' LEU . 11.3 m-85 -129.02 121.96 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.831 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -111.13 114.69 28.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.876 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.6 p -159.27 173.88 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.7 p -67.78 177.09 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -77.67 -15.58 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -9.37 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ALA . 1.3 m -110.75 -19.88 12.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.589 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.1 t80 -43.57 -44.68 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.31 -28.33 56.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -70.53 -7.71 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.876 HD21 ' SG ' ' A' ' 90' ' ' CYS . 53.5 mt -68.12 150.48 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 100' ' ' PRO . 79.2 t -139.46 143.57 36.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -51.1 163.48 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.1 pt -147.55 176.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -117.46 101.3 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 2.0 t -79.77 146.43 32.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -136.39 119.27 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.888 ' CG2' HG21 ' A' ' 39' ' ' VAL . 47.3 t -95.59 106.11 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 30.0 m-85 -75.78 122.16 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 34.7 mmt -72.96 164.28 62.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.628 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.95 4.49 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.84 11.43 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CD2' HD22 ' A' ' 101' ' ' LEU . 58.8 m170 66.91 82.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -175.97 80.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -86.92 178.31 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.03 168.82 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.61 116.96 32.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.68 135.86 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.88 110.95 20.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -131.9 164.41 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -103.43 173.0 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 HD23 ' HB2' ' A' ' 78' ' ' PHE . 17.9 mt -90.66 39.99 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' ALA . 45.0 m -134.54 -44.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -49.15 176.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -124.42 178.34 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.598 HG23 HG21 ' A' ' 77' ' ' VAL . 3.0 t -50.04 -56.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 20.2 pt20 -42.01 -47.25 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -54.78 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 31' ' ' SER . 2.8 mp -47.68 -54.41 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.9 mt -44.78 -53.64 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.3 -50.46 66.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -58.08 -52.75 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.888 HG21 ' CG2' ' A' ' 14' ' ' VAL . 48.2 t -59.86 -50.49 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 m -47.35 -27.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -35.52 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.2 mmmt -70.52 -34.95 72.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.3 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.475 ' HB ' HD21 ' A' ' 69' ' ' LEU . 1.3 pt -133.91 139.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 89' ' ' ALA . 9.3 tp -88.58 143.81 26.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.503 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -144.3 135.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 121.39 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 85' ' ' SER . 41.9 t -115.39 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.7 t -107.68 164.16 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -22.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 27.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 44.52 40.87 6.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -92.0 97.64 11.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -86.51 130.38 34.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.59 94.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD21 ' HB ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -53.73 103.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.6 172.87 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -131.18 156.13 80.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.09 14.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 47.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -86.07 -178.78 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -114.16 -61.11 1.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 79.2 m -133.0 104.99 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.598 HG21 HG23 ' A' ' 32' ' ' VAL . 40.6 t -94.84 -64.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.703 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.4 m-30 -39.71 -35.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 m -84.09 -52.65 6.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -45.97 -48.58 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.846 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.99 128.83 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.98 -161.23 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.48 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.9 mt -78.75 -61.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.48 ' ND2' HG22 ' A' ' 83' ' ' ILE . 2.4 m120 -99.82 48.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m -113.17 134.08 54.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.8 m-70 -118.34 146.4 44.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.138 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.846 HD21 HD21 ' A' ' 81' ' ' LEU . 74.4 mt -88.03 125.22 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' VAL . 9.0 m-85 -118.22 124.92 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -119.51 113.97 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.877 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.8 p -162.6 176.89 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.0 p -61.28 155.05 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 3.7 mtm180 -63.26 -25.07 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -5.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.415 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.2 m -113.75 -15.08 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.8 t80 -47.98 -40.97 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.35 -23.63 43.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.52 -5.58 56.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.877 HD21 ' SG ' ' A' ' 90' ' ' CYS . 75.9 mt -62.84 140.15 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.668 HG13 ' HD2' ' A' ' 100' ' ' PRO . 72.4 t -133.4 142.77 45.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.668 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.02 132.16 15.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -51.49 162.86 0.64 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.1 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.71 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -150.33 177.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 m-85 -113.41 101.44 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -80.87 144.15 32.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -118.96 119.8 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 39' ' ' VAL . 87.6 t -108.35 99.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 10.7 m-85 -73.11 158.14 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.4 mmt -107.06 164.29 15.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.96 4.67 4.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -119.06 15.81 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 66.93 74.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -175.51 114.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 14.5 p90 -113.66 176.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.93 171.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 m -114.59 113.25 24.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.862 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -127.21 134.03 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 11.7 ttp180 -95.82 111.04 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.503 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 25.8 t -131.78 169.22 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -89.81 158.48 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.3 mt -65.61 -12.22 51.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 p -85.62 -29.96 23.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -58.27 126.97 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -93.7 175.73 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.625 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.0 t -40.59 -52.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -49.46 -57.1 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 10.0 m-20 -46.79 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.862 HG23 HD11 ' A' ' 24' ' ' ILE . 3.7 mt -41.54 -57.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.1 mt -40.25 -48.24 2.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.68 -50.74 63.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.508 ' HB2' HD13 ' A' ' 24' ' ' ILE . 73.4 m -58.56 -46.83 86.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 0.793 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 14' ' ' VAL . 25.2 t -57.89 -57.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.554 ' HA ' HD23 ' A' ' 43' ' ' LEU . 23.3 m -32.64 -53.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -43.52 -58.71 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -45.26 -41.7 8.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 40' ' ' THR . 2.6 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 ' CD ' ' A' ' 92' ' ' ARG . 3.8 pt -118.01 144.32 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 89' ' ' ALA . 8.4 tp -90.94 151.39 21.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG21 ' CD2' ' A' ' 95' ' ' TYR . 46.7 t -153.63 136.63 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.35 121.65 40.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 100' ' ' PRO . 52.6 t -119.62 134.54 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 2.3 t -114.8 168.37 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 69.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t -174.84 -38.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.67 9.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.81 100.36 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -92.17 145.38 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.2 t -141.45 95.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.24 111.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.8 mt -82.71 176.28 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -130.39 156.01 80.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -9.11 20.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 p -111.96 47.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.72 -178.6 6.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.11 -71.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.0 m -118.28 100.94 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 t -93.89 -60.38 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 10' ' ' ILE . 12.6 m-30 -42.07 -30.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -88.95 -51.83 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.87 -43.29 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.885 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.89 145.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.1 -170.06 13.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.44 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.7 mp -74.86 -49.48 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 83' ' ' ILE . 9.0 m-80 -120.58 51.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 138.69 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 5.1 m-70 -113.22 142.32 45.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.556 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.885 HD21 HD21 ' A' ' 81' ' ' LEU . 54.1 mt -87.76 115.58 25.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.487 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.5 m-85 -105.41 118.58 36.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.758 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -114.33 113.25 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.913 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -163.12 176.98 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.7 p -54.28 169.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.413 ' CD ' HD13 ' A' ' 57' ' ' ILE . 5.0 mmm180 -72.62 -43.86 62.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -10.21 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.421 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 21.3 m -98.83 -9.31 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.491 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.3 t80 -59.0 -37.34 76.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.49 -10.71 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.22 11.23 37.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 ' SG ' ' A' ' 90' ' ' CYS . 47.9 mt -83.64 127.42 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 100' ' ' PRO . 54.0 t -117.75 141.4 28.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.543 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.03 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.69 163.0 1.16 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 27' ' ' ARG . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.68 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -142.74 178.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 47.5 m-85 -118.51 101.53 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 3.8 t -80.39 151.75 29.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -137.31 126.73 24.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.871 ' CG2' HG21 ' A' ' 39' ' ' VAL . 56.0 t -103.05 107.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CB ' ' CE1' ' A' ' 88' ' ' PHE . 53.3 m-85 -77.57 121.74 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.513 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 32.2 mmt -73.45 165.1 56.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.781 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.97 -12.69 21.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.89 11.56 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CD2' HD22 ' A' ' 101' ' ' LEU . 59.6 m170 66.9 84.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.83 81.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.9 p90 -86.91 174.29 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.13 171.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.35 118.93 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.55 HD11 HG23 ' A' ' 35' ' ' ILE . 1.3 pt -127.82 133.59 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -83.71 109.06 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -132.16 153.45 50.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 9' ' ' GLU . 4.1 mtt180 -103.12 169.52 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -75.41 55.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -152.46 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.76 135.42 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 p -95.17 170.68 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG22 HD23 ' A' ' 58' ' ' LEU . 3.0 t -40.34 -48.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.41 -55.8 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.568 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.1 m-20 -48.9 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.55 HG23 HD11 ' A' ' 24' ' ' ILE . 3.3 mt -44.19 -61.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 58' ' ' LEU . 14.1 mt -40.65 -44.54 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.33 -55.23 22.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m -56.07 -39.06 71.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.871 HG21 ' CG2' ' A' ' 14' ' ' VAL . 31.3 t -70.5 -52.43 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.2 m -45.14 -25.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.48 -41.52 65.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.2 mmmt -64.43 -36.48 84.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD12 HD21 ' A' ' 69' ' ' LEU . 8.1 pt -116.08 145.95 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 HG22 ' A' ' 32' ' ' VAL . 10.6 tp -88.91 146.77 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -148.19 134.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.63 121.6 39.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.633 HG12 ' HB3' ' A' ' 100' ' ' PRO . 61.2 t -113.51 138.04 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.79 169.52 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.6 p -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.3 p -91.75 -1.01 57.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.45 17.38 79.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.27 101.43 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -86.73 135.61 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -135.05 94.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.445 HD21 HD12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -53.91 110.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 87' ' ' LEU . 32.9 mt -78.97 178.07 8.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -137.68 157.42 73.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.09 12.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.8 p -116.66 45.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -87.18 179.35 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -109.43 -66.61 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.6 m -142.11 102.04 4.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 81' ' ' LEU . 8.0 t -84.8 -45.26 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.4 m-30 -45.51 -36.0 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -90.35 -46.92 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.61 -45.02 27.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.89 HD21 HD21 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -39.66 136.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.68 -156.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.67 -51.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -118.09 52.49 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -111.31 149.02 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -127.81 145.45 50.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.89 HD21 HD21 ' A' ' 81' ' ' LEU . 27.9 mt -88.08 142.48 27.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CB ' ' A' ' 15' ' ' TYR . 8.5 m-85 -135.13 124.45 24.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.16 114.62 28.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.979 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -160.97 173.8 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.5 p -69.02 -179.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -40.48 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -10.46 59.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -105.12 -17.83 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.522 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.4 t80 -52.79 -43.02 65.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -77.73 -14.43 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.14 3.51 53.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.979 HD21 ' SG ' ' A' ' 90' ' ' CYS . 73.2 mt -75.09 150.74 38.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.517 HG13 ' HD2' ' A' ' 100' ' ' PRO . 47.0 t -144.21 141.48 18.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.633 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.3 Cg_endo -75.02 140.51 25.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -53.79 161.34 1.72 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CD ' ' NH1' ' A' ' 27' ' ' ARG . 9.5 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.808 HD11 ' CD2' ' A' ' 78' ' ' PHE . 3.2 pt -151.04 176.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 36.1 m-85 -111.27 101.29 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 7.8 t -80.65 147.3 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -126.78 128.05 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.979 ' CG2' HG21 ' A' ' 39' ' ' VAL . 45.8 t -111.16 101.38 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 10.5 m-85 -72.19 149.8 44.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.461 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 28.4 mmt -98.42 166.13 13.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.741 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 -12.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.92 16.95 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.401 ' CD2' HD22 ' A' ' 101' ' ' LEU . 35.5 m170 66.77 79.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.26 103.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -103.61 178.8 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 m -135.88 173.37 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -116.43 119.49 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 38' ' ' SER . 1.0 OUTLIER -133.95 134.99 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -91.28 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.504 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 46.0 t -132.21 168.38 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 9' ' ' GLU . 6.9 mtm-85 -98.18 150.89 21.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD23 ' HB2' ' A' ' 78' ' ' PHE . 2.4 mt -55.82 -24.45 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 t -75.68 -34.39 60.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -47.46 138.85 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -99.18 167.11 10.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.7 t -40.15 -48.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -49.24 -61.0 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.619 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -40.43 -58.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.95 -46.36 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.97 92.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.642 ' HB2' HD13 ' A' ' 24' ' ' ILE . 25.8 m -63.51 -47.92 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.979 HG21 ' CG2' ' A' ' 14' ' ' VAL . 89.0 t -63.59 -52.8 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.7 m -41.87 -37.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.74 -44.22 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.9 mmmt -59.33 -38.28 79.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 90' ' ' CYS . 4.1 pt -117.17 143.89 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.0 tp -89.05 149.43 23.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -153.98 133.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.14 121.4 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.3 t -117.46 136.47 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 169.36 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.21 69.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.96 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.21 25.84 2.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.45 95.73 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -89.98 134.96 33.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 68' ' ' VAL . 37.9 t -130.64 87.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.67 109.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.0 -179.15 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -140.66 158.2 66.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.19 12.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.9 p -119.91 48.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -86.39 -175.02 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -121.66 -67.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 2.4 p -124.52 100.45 6.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.0 t -94.73 -66.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.808 ' CD2' HD11 ' A' ' 10' ' ' ILE . 12.4 m-30 -38.43 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . 2.1 m -89.08 -58.57 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -41.05 -43.48 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.852 HD11 ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -44.75 132.08 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.79 -164.3 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 mm -82.11 -49.01 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -115.61 55.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -115.83 132.9 56.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.2 m-70 -111.17 140.74 45.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.598 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.852 ' HG ' HD11 ' A' ' 81' ' ' LEU . 50.4 mt -88.24 131.28 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.658 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.7 m-85 -117.29 125.14 50.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.28 114.12 27.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.912 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -162.88 173.94 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -65.55 -178.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.87 -32.34 51.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -0.88 42.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 m -114.41 -14.43 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.516 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.9 t80 -48.87 -43.89 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.96 -26.9 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.14 -8.37 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.912 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.6 mt -73.4 143.64 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 100' ' ' PRO . 76.1 t -131.16 143.19 48.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.95 129.83 12.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -59.81 162.18 10.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 0.0 110.978 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -146.94 177.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.43 101.5 8.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' HD11 ' A' ' 24' ' ' ILE . 46.1 t -74.03 152.17 40.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -132.71 113.75 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 39' ' ' VAL . 32.6 t -99.32 100.57 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 20.9 m-85 -75.26 123.74 25.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.477 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.1 mmt -73.38 166.47 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.771 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.04 -11.3 21.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -106.87 11.79 29.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.2 m170 67.28 81.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.01 82.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 6.2 p90 -86.85 176.83 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.2 m -135.23 173.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.445 ' OG1' ' NH1' ' A' ' 13' ' ' ARG . 2.2 m -111.61 118.64 36.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.526 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -130.76 132.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -91.5 111.4 22.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -132.15 165.8 23.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.76 173.37 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.2 45.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -146.16 -45.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.895 ' HB1' ' HB3' ' A' ' 34' ' ' ASP . . . -40.1 122.63 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -73.36 173.91 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.656 HG22 HD23 ' A' ' 58' ' ' LEU . 2.3 t -48.19 -50.86 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 9.1 pt20 -57.16 -46.19 82.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.895 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -51.83 -59.15 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 24' ' ' ILE . 5.6 mt -51.88 -55.27 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.2 mt -40.54 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.11 -44.29 63.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' ILE . 70.9 m -67.44 -46.66 72.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 109.968 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 14' ' ' VAL . 61.0 t -62.46 -58.38 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -38.95 -35.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -50.35 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.07 -38.7 68.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -126.3 149.32 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 32' ' ' VAL . 13.8 tp -88.16 149.79 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 95' ' ' TYR . 53.9 t -152.72 146.52 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.36 121.01 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 100' ' ' PRO . 26.2 t -116.91 134.46 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -106.6 163.92 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.15 67.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 m -174.2 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.42 38.27 0.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.17 97.6 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -89.41 139.67 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 68' ' ' VAL . 27.4 t -134.86 88.82 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.51 111.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB3' HG21 ' A' ' 32' ' ' VAL . 42.6 mt -83.29 175.96 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -130.62 154.85 81.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.2 p -118.66 42.82 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -84.5 -176.24 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -121.21 -64.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 96.2 m -127.4 104.96 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -94.37 -60.34 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.742 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.4 m-30 -40.69 -28.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -89.01 -48.83 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -45.4 -52.46 10.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD21 HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -40.13 136.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.81 -161.51 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.48 -57.52 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -104.38 53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -121.3 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -120.43 146.21 46.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.76 HD21 HD21 ' A' ' 81' ' ' LEU . 43.2 mt -88.11 144.03 26.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.499 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.9 m-85 -132.79 120.32 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.72 114.38 28.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.976 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.2 p -161.48 174.0 14.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.337 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -77.73 168.25 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -41.03 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -7.72 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.9 m -107.85 -25.82 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.043 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -48.01 -44.09 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -75.72 -20.36 58.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.24 8.48 21.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.976 HD21 ' SG ' ' A' ' 90' ' ' CYS . 72.2 mt -82.09 146.58 29.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.617 HG13 ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -136.34 142.19 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.617 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 132.25 15.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -51.81 164.49 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.791 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.8 pt -150.48 176.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.535 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 77.3 m-85 -117.0 101.36 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.508 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 1.8 t -80.27 149.5 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 108.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -137.55 126.94 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.98 ' CG2' HG21 ' A' ' 39' ' ' VAL . 55.0 t -101.43 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 15.6 m-85 -75.05 121.78 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.473 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.2 mmt -72.45 165.86 47.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.686 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.0 Cg_endo -75.03 -11.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.426 1.751 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.62 12.83 25.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m170 67.47 84.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 t -175.61 81.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -89.7 178.67 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.47 173.7 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -112.81 119.85 39.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.02 135.31 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.3 ttm180 -87.8 112.65 22.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -132.22 166.61 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -104.42 173.33 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 mt -91.55 38.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -131.62 -44.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.647 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -49.59 177.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.2 p -126.29 174.26 8.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 77' ' ' VAL . 3.3 t -43.95 -46.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -49.18 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.647 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -46.42 -68.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -41.81 -60.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.6 mt -42.48 -50.72 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.79 48.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -61.12 -53.98 50.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.98 HG21 ' CG2' ' A' ' 14' ' ' VAL . 22.2 t -54.63 -58.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.4 m -42.47 -38.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -42.77 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.4 mmmt -61.93 -37.61 85.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 6.7 pt -107.55 146.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' C ' HG23 ' A' ' 59' ' ' VAL . 11.5 tp -88.53 151.81 22.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -154.51 132.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 121.53 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.414 HG12 ' HB3' ' A' ' 100' ' ' PRO . 57.4 t -115.6 145.01 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -122.35 167.63 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.9 p -68.23 69.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -177.69 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.63 17.91 5.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.01 97.42 8.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 0.787 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -89.81 143.02 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 68' ' ' VAL . 36.9 t -136.06 88.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.09 109.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.588 HD13 HG11 ' A' ' 77' ' ' VAL . 52.8 mt -85.07 176.83 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -141.37 158.36 63.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.3 p -120.27 44.06 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -84.01 -177.51 6.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.168 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -112.46 -65.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.61 104.15 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.588 HG11 HD13 ' A' ' 70' ' ' LEU . 3.9 t -94.43 -61.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.791 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -38.69 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.5 m -87.43 -49.98 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.72 -46.21 40.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.961 HD21 HD21 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -40.52 123.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.57 -167.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.4 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.9 mt -74.74 -52.64 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' ND2' HG22 ' A' ' 83' ' ' ILE . 2.9 m120 -112.11 51.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -112.47 138.33 49.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -119.35 145.91 45.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.961 HD21 HD21 ' A' ' 81' ' ' LEU . 71.6 mt -88.53 137.75 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HD2' HD22 ' A' ' 98' ' ' LEU . 13.0 m-85 -126.97 119.97 27.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' ILE . . . -106.49 114.88 29.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.873 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.8 p -159.01 174.21 15.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 108.272 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.5 p -63.52 -169.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -87.22 -27.19 23.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -6.77 58.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 m -105.37 -15.67 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.9 t80 -49.77 -41.87 45.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -31.74 59.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.62 -11.22 52.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.873 HD21 ' SG ' ' A' ' 90' ' ' CYS . 58.1 mt -65.71 140.29 58.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 100' ' ' PRO . 58.1 t -129.46 141.65 42.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.96 130.64 13.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -54.8 164.05 1.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.634 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -147.48 173.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.63 100.71 8.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 152.85 22.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 1.7 mpt_? -136.54 120.0 16.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.016 ' CG2' HG21 ' A' ' 39' ' ' VAL . 73.5 t -92.04 101.9 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.533 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 15.4 m-85 -71.44 119.29 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.9 mmt -72.93 165.56 51.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.838 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.99 -11.72 21.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.88 10.67 32.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.6 m170 67.67 82.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 t -176.43 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 22.9 p90 -86.3 178.53 7.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -139.93 156.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 125.68 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.68 132.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -88.49 107.39 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 10' ' ' ILE . 22.6 t -132.15 160.86 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 149.68 21.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.752 HD23 ' HB2' ' A' ' 78' ' ' PHE . 2.5 mt -58.29 -26.22 62.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -45.32 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -44.17 163.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -117.82 169.76 9.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.543 HG13 HD22 ' A' ' 58' ' ' LEU . 5.0 t -40.19 -47.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -47.99 -62.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -41.05 -65.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.7 mp -42.5 -58.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 36' ' ' LEU . 11.1 mt -42.49 -62.61 0.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.96 -42.3 38.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -64.43 -58.04 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.016 HG21 ' CG2' ' A' ' 14' ' ' VAL . 32.1 t -52.33 -46.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 m -41.64 -42.55 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.62 -42.22 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.3 mmtt -61.97 -37.93 86.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.681 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 8.3 pt -109.04 146.66 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 89' ' ' ALA . 9.3 tp -88.55 157.06 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' C ' ' A' ' 58' ' ' LEU . 99.4 t -156.94 142.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.44 121.33 44.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 67' ' ' LYS . 83.4 t -119.12 130.94 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.3 167.4 9.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.0 p -70.33 69.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.84 -38.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.99 36.38 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -105.02 102.03 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HG2' HG22 ' A' ' 61' ' ' VAL . 7.0 mtmm -92.61 135.21 34.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 68' ' ' VAL . 24.5 t -130.98 88.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.15 109.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 70' ' ' LEU . 15.7 mt -85.39 176.28 8.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -134.48 156.86 78.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -5.93 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.821 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.23 44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -85.47 -175.49 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -117.14 -73.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 82.0 m -116.59 102.22 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.515 HG21 HG23 ' A' ' 32' ' ' VAL . 40.1 t -95.44 -68.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.752 ' HB2' HD23 ' A' ' 28' ' ' LEU . 10.3 m-30 -37.38 -32.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.9 m -87.34 -51.6 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -42.61 -49.31 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.94 133.44 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.5 -157.94 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mp -81.38 -52.28 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -114.82 56.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' HD13 ' A' ' 81' ' ' LEU . 8.5 m -112.16 142.17 44.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.526 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.5 m-70 -122.09 139.64 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 81' ' ' LEU . 58.2 mt -87.98 127.81 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.617 ' HZ ' HD23 ' A' ' 101' ' ' LEU . 65.1 m-85 -119.67 118.66 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -107.75 114.34 28.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.941 ' SG ' HD21 ' A' ' 98' ' ' LEU . 30.0 p -157.02 173.62 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -62.6 176.24 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.44 59.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.44 -7.09 45.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -108.03 -16.11 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.3 t80 -49.15 -41.27 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.69 -19.14 42.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.62 1.15 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.941 HD21 ' SG ' ' A' ' 90' ' ' CYS . 44.3 mt -78.57 150.67 32.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.722 HG13 ' HD2' ' A' ' 100' ' ' PRO . 76.9 t -139.57 143.67 36.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.722 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 126.7 10.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.617 HD23 ' HZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -53.0 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.418 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.0 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.688 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -149.39 174.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 52.9 m-85 -117.27 101.32 8.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.503 ' HB3' HD11 ' A' ' 24' ' ' ILE . 11.0 t -76.54 144.19 39.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.7 mpp_? -127.22 119.24 25.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.992 ' CG2' HG21 ' A' ' 39' ' ' VAL . 79.4 t -97.05 98.8 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.7 m-85 -71.51 127.01 31.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.462 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mmt -78.16 166.21 44.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.754 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.01 -11.68 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -107.3 13.46 27.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.7 m170 66.91 82.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.45 85.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 33.8 p90 -87.12 178.09 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 m -139.24 163.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -102.26 122.6 44.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -132.98 137.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -85.71 110.65 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -132.5 161.84 32.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HG2' ' CG ' ' A' ' 9' ' ' GLU . 31.1 mtt180 -109.57 172.28 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 78' ' ' PHE . 15.3 mt -87.41 44.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . 94.6 p -139.12 -45.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.61 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.462 ' O ' HD12 ' A' ' 35' ' ' ILE . 1.7 p -132.14 171.34 13.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.088 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.5 t -39.87 -51.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -44.6 -62.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.538 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -42.65 -67.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 mt -42.26 -61.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 36' ' ' LEU . 13.1 mt -40.88 -46.57 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.11 -57.17 12.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 m -53.39 -36.71 61.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.992 HG21 ' CG2' ' A' ' 14' ' ' VAL . 15.8 t -74.32 -60.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.643 ' HA ' HD23 ' A' ' 43' ' ' LEU . 53.6 m -38.19 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 30.1 mt-10 -67.21 -49.75 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.0 mmmt -53.37 -36.39 61.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.5 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.72 146.57 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.528 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.0 tp -88.5 152.12 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 95' ' ' TYR . 61.3 t -154.69 134.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.78 120.96 35.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -114.32 137.02 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.83 169.41 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -14.39 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -101.59 30.02 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.69 47.11 9.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.39 99.44 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -91.56 131.45 36.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 t -131.35 96.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.67 109.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 mt -84.57 175.15 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -134.43 157.61 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.34 9.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.4 p -122.97 46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 17.8 mm-40 -85.53 -176.65 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -117.61 -69.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 64.6 m -120.65 100.84 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.402 HG21 HG23 ' A' ' 32' ' ' VAL . 21.7 t -95.18 -66.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.688 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.3 m-30 -38.67 -31.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -86.67 -48.1 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.441 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -44.25 -49.81 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.788 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.8 137.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.79 -161.66 5.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.69 -55.37 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.53 56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.8 m -118.4 141.86 48.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -123.27 146.41 47.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.788 HD21 HD21 ' A' ' 81' ' ' LEU . 44.6 mt -88.82 137.98 31.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 98' ' ' LEU . 10.0 m-85 -126.84 123.93 38.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.35 114.74 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.89 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -161.44 173.53 14.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.6 p -66.47 -167.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -86.64 -34.72 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -76.83 -7.8 56.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ALA . 34.2 m -107.28 -24.58 11.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.4 t80 -42.54 -41.53 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -79.58 -31.0 41.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -67.02 -10.79 53.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.89 HD21 ' SG ' ' A' ' 90' ' ' CYS . 62.9 mt -65.03 149.8 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 100' ' ' PRO . 80.3 t -136.01 142.98 42.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.04 127.85 10.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -52.08 165.03 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 5.2 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.636 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -149.03 161.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -104.09 101.49 11.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.514 ' HB3' HD11 ' A' ' 24' ' ' ILE . 50.7 t -78.02 152.9 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -137.28 119.12 15.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.831 ' CG2' HG21 ' A' ' 39' ' ' VAL . 94.0 t -101.69 102.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 27.6 m-85 -72.58 125.46 27.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 31.7 mmt -71.28 163.71 63.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.64 4.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.6 14.91 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.626 ' NE2' HD22 ' A' ' 101' ' ' LEU . 21.9 m170 66.7 81.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.69 81.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -87.19 178.3 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.8 m -138.28 173.8 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -110.27 114.67 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.514 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.1 pp -126.95 134.22 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -88.5 111.71 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.5 t -131.5 159.91 36.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -99.46 174.03 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 78' ' ' PHE . 16.8 mt -89.92 40.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -132.49 -44.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.683 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.81 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -132.62 175.88 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG23 HG21 ' A' ' 77' ' ' VAL . 3.7 t -43.24 -45.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.21 -61.39 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.683 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -40.79 -67.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.5 mp -42.78 -63.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.4 mt -40.08 -44.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.59 56.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -60.14 -45.7 92.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.831 HG21 ' CG2' ' A' ' 14' ' ' VAL . 54.7 t -63.79 -51.1 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -40.55 -37.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.96 -46.37 81.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.5 mmmt -57.94 -38.67 76.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.649 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 pt -115.12 143.21 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.4 tp -90.08 149.34 22.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.531 HG21 ' CD2' ' A' ' 95' ' ' TYR . 39.3 t -153.25 136.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.57 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.535 HG22 ' HG2' ' A' ' 67' ' ' LYS . 92.7 t -116.93 139.76 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.84 167.79 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 69.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.2 t -176.93 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.26 31.72 1.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -96.71 95.76 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 61' ' ' VAL . 7.0 mtmm -87.56 145.46 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -141.44 92.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.6 110.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.98 178.6 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 155.18 77.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -7.15 18.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 p -115.21 49.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -87.07 179.25 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.66 -55.43 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.3 m -141.47 104.6 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.646 HG21 HG23 ' A' ' 32' ' ' VAL . 21.9 t -93.84 -58.78 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -41.96 -32.31 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 m -83.66 -59.86 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -43.52 -45.18 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.75 131.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.14 -164.28 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 mm -86.23 -45.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.39 45.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 139.6 44.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -114.36 147.02 39.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.543 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 81' ' ' LEU . 41.9 mt -87.55 125.34 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.577 ' HD2' HD22 ' A' ' 98' ' ' LEU . 5.7 m-85 -115.21 130.25 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.08 113.73 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.909 ' SG ' HD21 ' A' ' 98' ' ' LEU . 8.2 p -154.99 174.57 14.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 p -64.36 -174.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -84.48 -17.85 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 2.51 44.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.0 m -113.67 -15.47 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.052 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.531 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.3 t80 -48.61 -39.08 22.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.81 -25.29 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.69 -6.8 50.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.909 HD21 ' SG ' ' A' ' 90' ' ' CYS . 47.0 mt -68.35 146.12 53.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -132.92 142.6 45.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.5 Cg_endo -74.97 127.67 10.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.626 HD22 ' NE2' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -58.58 163.62 4.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mt-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.4 pt -150.96 173.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -114.86 102.73 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 p -102.46 148.82 25.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 1.0 OUTLIER -126.22 140.13 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 39' ' ' VAL . 25.5 t -108.52 102.01 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 45.8 m-85 -68.93 149.76 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.9 mmt -101.19 164.83 15.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 4.64 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.31 15.67 11.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 m170 66.92 76.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.09 109.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 6.4 p90 -114.85 172.16 7.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 27.5 m -132.47 164.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -103.27 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.759 HD11 HG23 ' A' ' 35' ' ' ILE . 6.3 pt -126.62 141.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -99.79 110.35 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -132.02 169.21 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -99.01 173.9 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.3 mt -84.06 48.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -149.42 -45.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' A' ' 34' ' ' ASP . . . -39.87 128.97 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' VAL . 9.5 p -83.79 166.05 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.576 HG22 HD23 ' A' ' 58' ' ' LEU . 2.6 t -39.84 -47.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -53.33 -56.52 15.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.722 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -43.14 -60.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.759 HG23 HD11 ' A' ' 24' ' ' ILE . 2.7 mp -49.83 -59.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' ILE . 18.7 mt -39.66 -43.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -49.22 63.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -59.02 -41.81 88.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.677 HG21 ' CG2' ' A' ' 14' ' ' VAL . 55.3 t -71.66 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' VAL . 18.6 m -37.88 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.07 -50.72 70.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 8.9 mmmt -53.62 -39.93 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.578 ' CD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 2.5 pt -124.74 139.72 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 89' ' ' ALA . 13.4 tp -89.94 150.89 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 95' ' ' TYR . 38.4 t -150.18 143.93 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.34 120.42 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 100' ' ' PRO . 39.3 t -115.92 127.41 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 p -100.55 177.18 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.7 p -67.74 -9.34 43.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 t -100.45 1.13 40.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.65 32.62 57.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -88.24 99.9 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -86.4 135.84 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.57 99.39 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 110.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.37 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 32' ' ' VAL . 14.5 mt -82.24 176.38 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -131.44 154.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 p -118.72 42.16 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.78 -177.39 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.83 -73.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 97.5 m -102.42 93.5 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.0 t -95.34 -66.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.2 m-30 -46.22 -24.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -90.48 -53.76 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -46.38 -50.81 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.46 140.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.63 -163.81 3.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.65 -58.0 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.6 54.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -115.84 126.46 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.964 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -104.9 140.14 38.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 81' ' ' LEU . 53.4 mt -87.95 133.85 33.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' HD2' HD22 ' A' ' 98' ' ' LEU . 11.6 m-85 -122.71 118.01 27.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.616 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -112.59 113.71 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.852 ' SG ' HD21 ' A' ' 98' ' ' LEU . 9.9 p -160.53 176.6 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 p -61.04 161.2 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -69.52 -12.12 61.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.4 -3.67 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.452 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.1 m -117.09 -8.51 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.2 t80 -55.93 -38.37 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -6.43 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.59 13.87 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.852 HD21 ' SG ' ' A' ' 90' ' ' CYS . 20.3 mt -84.81 143.29 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.495 HG13 ' HD2' ' A' ' 100' ' ' PRO . 43.0 t -130.7 141.06 40.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.527 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.3 Cg_endo -74.95 129.26 12.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -58.02 162.17 5.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.521 1.8 . . . . 0.0 111.023 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.615 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -151.72 170.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 31.8 m-85 -111.82 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 42.6 t -73.23 145.12 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -124.27 119.32 28.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.056 HG21 HG21 ' A' ' 39' ' ' VAL . 55.7 t -102.47 98.71 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 22.2 m-85 -70.81 139.98 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 25.9 mmt -89.19 166.02 23.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.734 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.97 -11.71 21.56 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.72 15.89 25.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.6 m170 66.66 78.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.8 t -175.78 96.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 17.4 p90 -95.2 178.32 5.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.06 169.63 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -110.06 123.84 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.502 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -137.21 127.72 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -81.5 112.06 18.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -132.2 169.14 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 3.2 ttm180 -102.7 178.11 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt -91.16 38.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.13 -45.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -42.93 146.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -100.13 173.79 6.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 t -46.86 -48.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.17 -57.93 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.4 m-20 -43.15 -62.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.502 HG23 HD11 ' A' ' 24' ' ' ILE . 4.8 mt -47.93 -57.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.2 mt -40.4 -44.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.89 54.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -59.36 -55.57 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.056 HG21 HG21 ' A' ' 14' ' ' VAL . 63.2 t -48.55 -57.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.54 ' HA ' HD23 ' A' ' 43' ' ' LEU . 11.1 m -32.8 -54.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -57.93 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -46.12 -42.03 13.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.625 HD21 HG12 ' A' ' 39' ' ' VAL . 2.5 mm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.546 HD12 HD21 ' A' ' 69' ' ' LEU . 7.6 pt -112.21 146.67 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.554 ' CD2' HD22 ' A' ' 87' ' ' LEU . 9.0 tp -88.44 153.05 21.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.507 HG21 ' CD2' ' A' ' 95' ' ' TYR . 60.2 t -154.97 137.12 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.68 121.25 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 85' ' ' SER . 89.2 t -116.02 136.41 53.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.71 169.9 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t -62.2 -13.59 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.38 27.32 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.78 47.03 13.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.97 96.31 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -87.19 137.62 32.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.84 98.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 57' ' ' ILE . 0.8 OUTLIER -61.3 104.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -75.67 177.62 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -128.87 154.86 80.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -4.12 14.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 p -114.2 45.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.16 -178.66 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -126.06 -55.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.9 m -126.56 97.55 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 79' ' ' THR . 26.9 t -95.15 -63.62 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -41.24 -27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 77' ' ' VAL . 2.4 m -87.36 -43.95 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -52.09 -41.27 62.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -40.26 124.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.88 -166.98 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -74.32 -50.09 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -120.96 49.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 2.8 m -108.15 148.01 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.8 m-70 -124.88 144.58 50.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' A' ' 81' ' ' LEU . 36.4 mt -88.03 128.31 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.61 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.3 m-85 -117.68 125.43 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.8 114.76 28.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.898 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -161.99 172.93 15.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 p -73.2 179.52 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -72.2 -23.02 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -8.07 56.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' ALA . 6.3 m -108.28 -23.99 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -44.89 -42.82 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.35 -23.82 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.898 HD21 ' SG ' ' A' ' 90' ' ' CYS . 61.3 mt -73.91 148.32 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.653 HG13 ' HD2' ' A' ' 100' ' ' PRO . 95.9 t -134.63 142.51 42.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.0 130.35 13.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -57.94 163.65 4.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -146.07 177.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.6 m-85 -111.24 101.43 9.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.7 t -83.49 152.56 24.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.71 125.72 30.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.986 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.7 t -100.17 104.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 20.2 m-85 -72.82 150.19 42.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.443 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 30.1 mmt -103.91 165.6 13.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.11 15.12 28.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.0 m170 66.49 81.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.07 109.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -110.07 176.71 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -133.16 169.08 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 m -109.69 125.36 52.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.507 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -139.72 136.74 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -87.2 113.26 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.3 t -131.75 167.74 18.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 30' ' ' ALA . 75.4 mtm180 -114.15 144.13 43.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.5 mt -49.85 -25.88 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -70.58 -34.15 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -58.18 172.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.439 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.7 p -131.72 172.61 12.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.61 HG23 HG21 ' A' ' 77' ' ' VAL . 7.4 t -43.6 -46.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -49.19 -53.34 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.8 t0 -50.97 -66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.8 mp -43.21 -58.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.6 mt -46.73 -63.71 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.95 -48.75 9.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -61.87 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.986 HG21 ' CG2' ' A' ' 14' ' ' VAL . 42.0 t -43.45 -52.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' VAL . 54.2 m -37.72 -41.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.05 -50.74 72.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 11.0 mmmt -53.33 -39.91 64.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.611 ' CD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -122.85 138.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 89' ' ' ALA . 5.6 tp -89.75 150.21 22.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -149.41 131.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.46 121.53 36.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 100' ' ' PRO . 40.4 t -115.35 130.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.2 t -114.77 165.94 12.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -24.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 28.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 41.04 31.65 0.5 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -84.43 97.94 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -83.56 135.66 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -134.08 99.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.951 HD12 ' CE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -62.21 99.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.8 mt -74.04 174.24 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -135.98 158.62 73.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.02 9.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.43 1.753 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.1 p -119.72 45.41 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -87.9 -179.99 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -108.99 -70.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.0 m -131.91 100.53 5.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 108.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.61 HG21 HG23 ' A' ' 32' ' ' VAL . 21.5 t -88.23 -56.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.651 ' HB2' HD23 ' A' ' 28' ' ' LEU . 10.8 m-30 -42.89 -27.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . 5.7 m -89.98 -57.29 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.91 -47.3 5.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.15 129.95 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.54 -159.05 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -92.05 -37.11 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -117.63 48.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.2 m -118.04 150.52 39.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 4.5 m-70 -132.28 145.8 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.643 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.871 HD21 HD21 ' A' ' 81' ' ' LEU . 62.2 mt -88.39 122.13 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.8 m-85 -114.84 122.69 47.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.841 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -112.19 115.83 29.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.939 ' SG ' HD21 ' A' ' 98' ' ' LEU . 15.0 p -161.68 173.89 14.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.5 p -69.08 169.73 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -68.61 -18.51 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.64 -5.32 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 m -117.81 -5.56 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.951 ' CE2' HD12 ' A' ' 69' ' ' LEU . 2.1 t80 -58.75 -40.93 85.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -12.22 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.16 7.78 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.939 HD21 ' SG ' ' A' ' 90' ' ' CYS . 49.4 mt -82.91 138.9 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 100' ' ' PRO . 41.4 t -126.06 141.33 39.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.2 Cg_endo -75.02 133.22 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -63.24 162.08 27.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.786 HD11 ' CD2' ' A' ' 78' ' ' PHE . 3.1 pt -146.65 176.96 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 20.5 m-85 -116.34 101.72 8.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HB3' HD11 ' A' ' 24' ' ' ILE . 39.0 t -78.96 151.11 31.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -137.39 119.11 15.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.963 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.7 t -99.03 104.57 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 16.5 m-85 -75.14 122.8 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.0 mmt -73.68 166.01 47.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.758 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.02 -11.58 21.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.83 12.64 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.564 ' NE2' HD22 ' A' ' 101' ' ' LEU . 31.5 m170 66.68 81.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.12 87.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -91.19 178.8 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.88 172.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -110.18 119.47 39.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER -129.12 141.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -91.16 111.71 23.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 t -132.17 154.24 49.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.75 175.53 6.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.78 38.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -136.55 -45.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -44.92 167.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -118.1 170.76 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.5 t -42.86 -48.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -47.13 -54.93 9.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.567 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -47.38 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -40.01 -55.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.4 mt -45.49 -51.95 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.79 17.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -54.76 -51.0 67.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.963 HG21 ' CG2' ' A' ' 14' ' ' VAL . 37.0 t -58.74 -56.44 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 m -44.36 -40.58 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.68 -37.33 81.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.6 mmmt -66.88 -36.66 82.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 pt -112.81 143.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' C ' HG23 ' A' ' 59' ' ' VAL . 13.8 tp -88.9 153.06 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -154.33 136.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 87' ' ' LEU . . . -96.74 121.29 38.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.37 129.39 71.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -109.93 167.38 10.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 t -66.89 69.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.6 OUTLIER -177.29 -36.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.021 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.74 13.49 6.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 95.98 4.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -90.39 133.95 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 t -129.43 90.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.25 110.81 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.4 mt -81.28 177.32 9.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -137.74 157.57 73.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -4.24 15.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -118.53 47.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.6 -179.34 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.97 -73.1 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 21.9 p -120.45 101.29 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.268 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.1 t -94.73 -66.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.786 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -39.17 -37.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 111.049 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 80' ' ' ALA . 2.4 m -80.54 -52.74 7.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -39.66 -55.49 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 85' ' ' SER . 0.2 OUTLIER -45.11 133.56 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.32 -136.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -105.73 -50.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -101.3 63.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' HD13 ' A' ' 81' ' ' LEU . 1.5 m -136.03 130.84 34.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.4 m-70 -113.82 139.52 49.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 60' ' ' ALA . 79.8 mt -87.92 139.54 30.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.61 ' HD2' HD22 ' A' ' 98' ' ' LEU . 13.2 m-85 -127.75 123.87 36.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.27 114.14 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.945 ' SG ' HD21 ' A' ' 98' ' ' LEU . 15.5 p -161.14 174.03 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.8 p -60.97 -171.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -27.15 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -12.79 57.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' ALA . 3.4 m -100.47 -21.91 15.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -45.19 -40.89 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.15 -25.03 40.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -73.76 -4.48 34.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.945 HD21 ' SG ' ' A' ' 90' ' ' CYS . 30.7 mt -74.12 145.71 44.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 100' ' ' PRO . 93.9 t -135.15 142.29 41.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.623 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 128.22 11.3 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' NE2' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -56.77 162.57 3.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.965 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' ' CG ' ' A' ' 27' ' ' ARG . 4.0 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.0 pt -148.46 176.35 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -120.67 101.59 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' HD11 ' A' ' 24' ' ' ILE . 6.3 t -80.71 153.42 27.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -137.32 124.63 21.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.935 ' CG2' HG21 ' A' ' 39' ' ' VAL . 89.0 t -98.2 100.03 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.5 m-85 -71.32 123.39 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.475 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.2 mmt -75.46 165.84 50.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.788 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.97 -11.52 21.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 13.58 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.7 m170 66.7 82.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -175.58 85.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -90.08 178.68 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 171.64 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.14 122.65 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.1 pp -132.75 129.43 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -85.19 110.37 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -132.22 164.12 27.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.465 ' CG ' ' HG3' ' A' ' 9' ' ' GLU . 22.9 mtp180 -105.17 166.76 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.2 mt -84.46 48.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -51.19 -178.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 p -130.11 171.94 12.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.638 HG22 ' CD2' ' A' ' 58' ' ' LEU . 3.1 t -41.35 -49.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -46.77 -56.85 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.643 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 13.5 t70 -47.96 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -42.8 -54.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 36' ' ' LEU . 14.2 mt -48.73 -50.61 32.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.48 -46.64 93.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -61.74 -50.4 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.935 HG21 ' CG2' ' A' ' 14' ' ' VAL . 69.9 t -63.43 -59.01 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.657 ' HA ' HD23 ' A' ' 43' ' ' LEU . 30.9 m -38.23 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.84 -50.21 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.1 mmmt -53.01 -36.8 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.2 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -120.6 146.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.638 ' CD2' HG22 ' A' ' 32' ' ' VAL . 15.9 tp -89.17 152.33 21.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 95' ' ' TYR . 25.5 t -152.57 145.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.38 120.99 43.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 67' ' ' LYS . 94.8 t -115.51 132.65 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -110.01 166.52 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.85 69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -177.15 -36.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.59 28.91 2.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.12 95.93 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 61' ' ' VAL . 4.1 mtmp? -88.75 142.72 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.79 99.17 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.5 107.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -80.26 175.95 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -134.66 157.17 77.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.6 p -122.67 48.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -85.13 -178.48 6.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -114.28 -64.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 67.9 m -132.15 102.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.521 HG21 HG23 ' A' ' 32' ' ' VAL . 32.7 t -94.05 -62.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.75 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -40.95 -30.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 m -90.39 -50.58 5.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -43.71 -52.38 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.729 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.47 140.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.63 1.48 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.426 HG22 ' ND2' ' A' ' 84' ' ' ASN . 3.4 mt -77.61 -53.02 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 83' ' ' ILE . 3.3 m120 -112.39 51.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.533 ' HB2' HD13 ' A' ' 81' ' ' LEU . 5.4 m -106.96 147.01 30.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -125.34 142.96 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.729 HD21 HD21 ' A' ' 81' ' ' LEU . 46.9 mt -89.45 138.75 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.1 m-85 -128.88 119.68 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.95 115.96 31.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.913 ' SG ' HD21 ' A' ' 98' ' ' LEU . 17.0 p -157.68 173.92 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 108.337 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -67.85 168.06 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -13.55 62.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.55 -10.11 25.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m -105.84 -14.49 15.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.535 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -55.82 -36.23 67.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.65 -8.02 59.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.16 16.01 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.8 mt -89.43 149.38 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 100' ' ' PRO . 77.9 t -137.83 142.86 37.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 139.65 24.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -64.35 162.83 29.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.928 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.6 pt -145.37 175.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 88.7 m-85 -116.54 101.07 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -98.62 157.07 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.319 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -134.47 158.63 43.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.947 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.6 t -132.25 99.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.635 ' CD1' ' CB ' ' A' ' 21' ' ' TYR . 4.3 m-85 -67.6 157.75 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.9 mmt -106.16 166.52 11.09 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.96 -11.33 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.08 15.83 26.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.5 m170 66.88 80.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.01 103.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 15' ' ' TYR . 15.1 p90 -110.76 171.63 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 22.4 m -136.98 168.41 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.86 130.27 55.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.854 HD11 HG23 ' A' ' 35' ' ' ILE . 1.2 pt -135.76 143.97 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.2 ttt180 -98.03 114.03 26.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -132.15 169.05 16.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.98 147.09 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' A' ' 78' ' ' PHE . 4.4 mt -59.38 -16.6 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -100.45 29.59 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.69 -179.35 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.3 m -133.15 158.54 42.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.574 HG22 HD22 ' A' ' 58' ' ' LEU . 2.7 t -39.67 -47.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -50.78 -60.4 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -42.73 -63.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.854 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 mt -48.53 -59.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 36' ' ' LEU . 12.3 mt -39.84 -67.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.78 -50.1 5.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -60.16 -37.17 79.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.043 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 ' CG2' ' A' ' 14' ' ' VAL . 71.9 t -72.49 -54.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -41.92 -35.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -45.19 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.3 mmmt -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.2 mm? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -106.4 148.98 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.574 HD22 HG22 ' A' ' 32' ' ' VAL . 6.8 tp -88.82 149.31 23.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 95' ' ' TYR . 48.0 t -152.61 137.84 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.7 121.22 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.3 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' SER . 1.8 m -108.93 169.1 8.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 68.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.6 t -174.82 -38.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.92 3.71 8.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.66 97.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -90.92 143.24 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 t -138.88 99.64 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 111.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 31.4 mt -85.0 178.69 7.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -134.19 154.44 80.05 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.39 9.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -118.41 43.98 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.04 -178.29 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -127.64 -69.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.5 m -111.86 94.36 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 79' ' ' THR . 21.7 t -95.09 -62.86 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.928 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.6 m-30 -42.63 -27.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' VAL . 1.9 m -85.13 -57.91 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.46 5.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.21 130.68 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.08 -145.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.59 -52.67 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -101.06 61.49 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -123.66 133.6 53.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.34 133.22 55.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 58' ' ' LEU . 54.6 mt -88.23 110.19 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' HB3' HD13 ' A' ' 98' ' ' LEU . 13.8 m-85 -98.86 124.05 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.05 115.3 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.958 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -161.91 173.81 13.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 71.9 p -67.51 -177.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.83 51.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -10.65 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 97' ' ' ALA . 18.2 m -106.63 -18.93 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.955 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.521 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.5 t80 -47.24 -41.56 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.76 -21.6 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.75 -1.9 30.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.958 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.7 mt -75.13 144.8 42.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 100' ' ' PRO . 85.2 t -130.8 141.82 43.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.616 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 134.79 18.22 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -65.02 161.88 43.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.491 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.9 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.844 HD11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 pt -150.89 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -114.33 101.65 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.16 149.67 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -136.76 119.78 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.611 HG12 ' CE ' ' A' ' 16' ' ' MET . 81.0 t -97.42 101.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 41.1 m-85 -75.29 119.31 19.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.611 ' CE ' HG12 ' A' ' 14' ' ' VAL . 35.5 mmt -70.17 164.02 56.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.699 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.99 5.18 4.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.31 11.34 9.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.1 m170 66.75 83.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 t -175.76 77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -86.95 177.6 7.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.07 173.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -111.52 122.53 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -138.05 128.92 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -87.34 109.82 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 47.0 t -132.17 169.26 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -101.04 160.48 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 78' ' ' PHE . 3.4 mt -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ALA . 8.1 t -67.34 -43.43 81.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -39.98 129.14 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 p -92.66 162.62 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.533 HG22 HD22 ' A' ' 58' ' ' LEU . 4.0 t -39.99 -43.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -54.87 -52.67 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.34 -70.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 2.5 mp -42.06 -55.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.0 mt -45.37 -45.26 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.43 -47.99 66.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.55 -43.0 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.016 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.574 HG21 ' CG2' ' A' ' 14' ' ' VAL . 40.7 t -69.93 -51.54 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.5 m -45.75 -24.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -35.57 64.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' VAL . 10.8 mmmt -69.1 -36.96 78.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.6 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pt -113.42 142.62 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 70' ' ' LEU . 7.8 tp -89.27 153.08 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.7 t -154.72 130.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.88 121.51 36.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.449 HG12 ' HB3' ' A' ' 100' ' ' PRO . 40.1 t -115.86 138.38 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -117.72 170.37 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 p -56.15 -19.85 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.8 p -92.31 11.65 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.06 64.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.22 99.88 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -85.05 141.05 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.18 96.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 109.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.651 HD12 HD23 ' A' ' 58' ' ' LEU . 21.7 mt -82.55 175.23 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -135.99 156.86 76.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.56 18.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 p -114.41 44.38 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -84.98 -179.72 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -120.1 -69.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -119.3 97.97 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 108.328 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.483 HG21 HG23 ' A' ' 32' ' ' VAL . 40.5 t -94.83 -64.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.844 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.0 m-30 -39.96 -28.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 77' ' ' VAL . 3.2 m -87.3 -55.85 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' THR . . . -39.62 -45.22 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.98 143.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -160.34 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.93 -47.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -122.62 50.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -105.47 142.69 34.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -121.44 143.85 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.576 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 81' ' ' LEU . 91.7 mt -88.2 147.91 24.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 8.6 m-85 -137.19 127.25 25.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -120.5 113.41 20.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.937 ' SG ' HD21 ' A' ' 98' ' ' LEU . 23.8 p -162.8 176.64 10.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.264 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.3 p -57.06 162.65 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -65.35 -39.93 92.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -9.44 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 29.4 m -100.97 -9.99 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.069 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -60.18 -38.11 82.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -82.39 -6.22 59.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.6 5.1 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.937 HD21 ' SG ' ' A' ' 90' ' ' CYS . 63.3 mt -73.32 133.39 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.481 HG13 ' HD2' ' A' ' 100' ' ' PRO . 61.9 t -123.79 138.99 31.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 131.88 14.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -57.76 163.31 4.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.1 pt -150.93 164.4 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.35 101.63 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 133.44 36.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.47 121.52 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.088 HG21 HG21 ' A' ' 39' ' ' VAL . 53.0 t -97.2 100.15 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.583 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.4 m-85 -68.99 154.25 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.6 mmt -107.8 164.26 15.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.96 4.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.49 13.52 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 m170 66.64 76.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.622 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -176.4 102.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -99.98 178.59 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.5 m -134.46 173.44 14.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -117.3 118.61 32.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 35' ' ' ILE . 1.6 pt -125.08 -177.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -136.72 111.53 8.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -132.01 169.37 16.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -95.23 149.82 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 78' ' ' PHE . 5.3 mt -61.08 -16.96 49.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.27 25.75 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.47 178.23 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -127.05 162.56 25.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 58' ' ' LEU . 3.0 t -43.54 -47.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -48.77 -61.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.12 -57.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 78' ' ' PHE . 3.4 mt -53.7 -60.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 36' ' ' LEU . 15.3 mt -41.13 -60.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.75 -43.48 22.6 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -66.71 -50.7 61.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.96 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.088 HG21 HG21 ' A' ' 14' ' ' VAL . 85.2 t -59.62 -57.68 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.624 ' HA ' HD23 ' A' ' 43' ' ' LEU . 5.6 m -36.02 -38.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.33 -49.99 73.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 39' ' ' VAL . 17.0 mmmt -52.22 -40.01 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 39' ' ' VAL . 3.2 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -118.0 139.45 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 89' ' ' ALA . 12.1 tp -89.14 154.93 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 95' ' ' TYR . 65.4 t -155.23 132.6 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.71 121.47 37.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.486 HG12 ' HB3' ' A' ' 100' ' ' PRO . 24.6 t -118.24 134.46 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 165.54 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.28 66.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -173.4 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.13 39.69 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.86 96.42 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -88.63 138.13 31.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.5 t -133.85 89.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.88 112.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 70' ' ' LEU . 27.4 mt -88.08 177.79 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.22 155.92 79.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.24 9.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.443 1.76 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 p -118.83 43.35 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.16 -177.7 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.71 -72.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 71.8 m -105.45 94.39 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.04 -69.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -45.77 -24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -89.17 -53.6 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -49.36 -49.51 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -45.24 132.53 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.33 -153.56 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.3 mt -91.73 -57.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.441 ' H ' ' ND2' ' A' ' 84' ' ' ASN . 2.0 p30 -98.14 61.15 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 42.9 m -130.51 122.7 28.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.9 m-70 -103.42 138.11 40.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.564 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' TYR . 29.2 mt -88.13 126.09 34.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.445 ' HD2' HD22 ' A' ' 98' ' ' LEU . 14.4 m-85 -114.36 119.32 36.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.69 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -113.13 113.72 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.807 ' SG ' HD21 ' A' ' 98' ' ' LEU . 12.4 p -162.71 176.56 10.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.4 p -56.29 175.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -32.96 48.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -0.38 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.43 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 9.4 m -115.07 -1.87 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.499 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -64.31 -37.73 88.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.2 -13.46 59.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.54 -3.98 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.807 HD21 ' SG ' ' A' ' 90' ' ' CYS . 48.5 mt -69.32 135.57 50.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 100' ' ' PRO . 94.1 t -129.97 142.49 45.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.08 129.11 11.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -58.88 162.02 7.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.69 154.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 p -98.48 -57.77 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.37 -171.12 33.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -134.73 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.78 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.67 -60.41 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.29 100.99 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.566 1.166 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.21 -9.08 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -47.95 150.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.71 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -144.78 175.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.69 101.44 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.5 t -78.22 150.8 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -134.02 123.01 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.947 ' CG2' HG21 ' A' ' 39' ' ' VAL . 49.4 t -99.68 101.7 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 48.0 m-85 -69.51 127.14 31.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.1 mmt -80.1 165.18 48.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.728 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -13.19 21.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.43 13.4 31.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 m170 66.49 79.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.87 87.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.014 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -86.38 178.78 7.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.63 169.88 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -112.13 110.18 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 35' ' ' ILE . 1.3 pt -122.89 136.77 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -91.21 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -131.97 168.29 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.12 173.94 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.7 26.51 2.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -143.23 18.44 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.8 -163.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 p -146.64 165.4 29.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.3 -48.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 34' ' ' ASP . 16.4 pt20 -59.51 -48.57 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 15.2 t0 -51.26 -60.65 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.525 HG23 HD11 ' A' ' 24' ' ' ILE . 5.5 mt -50.09 -58.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ILE . 28.0 mt -39.98 -59.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.73 -45.63 24.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 m -64.0 -60.95 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 ' CG2' ' A' ' 14' ' ' VAL . 78.6 t -51.52 -50.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.6 m -43.56 -39.51 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -39.78 95.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.23 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mmtt -63.72 -36.96 85.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.1 mm? -57.82 140.11 52.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.67 94.91 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 43' ' ' LEU . 27.5 m-85 -142.38 -50.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.96 -174.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -101.19 47.66 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -136.4 160.04 68.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 1.51 7.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.56 69.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.1 53.29 4.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 59.74 119.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 110.339 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -139.39 154.15 47.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -110.84 58.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 m 57.65 106.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -115.42 122.92 47.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.8 pt -113.88 143.78 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.738 HD21 HD13 ' A' ' 87' ' ' LEU . 11.8 tp -88.58 153.39 21.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' A' ' 95' ' ' TYR . 57.7 t -155.32 135.51 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.64 121.07 35.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 84.4 t -118.67 130.35 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -111.3 168.24 9.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -66.94 70.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.1 t -176.08 -37.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.63 13.0 7.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.82 95.95 5.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -89.55 140.31 29.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.77 91.4 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.73 111.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.08 -179.45 7.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -131.77 155.84 80.88 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.01 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.9 p -115.71 46.53 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -87.62 -175.39 5.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -133.12 -72.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 93.9 m -108.07 97.92 7.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.02 -70.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.8 m-30 -38.64 -31.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 m -85.35 -49.15 8.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -47.84 -51.18 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 85' ' ' SER . 0.2 OUTLIER -52.04 124.57 13.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 81' ' ' LEU . . . -59.75 -141.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.76 -57.27 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.01 52.38 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.525 ' HB2' HD13 ' A' ' 81' ' ' LEU . 31.9 p -124.94 148.98 48.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -137.38 138.69 40.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.738 HD13 HD21 ' A' ' 58' ' ' LEU . 48.3 mt -88.0 135.75 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.602 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.0 m-85 -126.56 124.78 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.472 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -111.29 114.16 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.968 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.3 p -160.85 173.99 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.8 p -61.5 -175.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -32.42 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.48 -11.66 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 m -98.52 -21.46 16.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.3 t80 -45.17 -41.55 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -75.62 -38.9 58.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.48 -16.34 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.968 HD21 ' SG ' ' A' ' 90' ' ' CYS . 60.8 mt -59.19 143.48 48.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 100' ' ' PRO . 80.5 t -132.86 142.66 45.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.65 12.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.79 163.32 1.14 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -141.44 80.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -128.91 -173.93 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 105' ' ' ILE . 3.5 mp -93.45 38.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -111.04 -166.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.2 m -51.65 114.85 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.08 168.11 13.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -68.13 -68.2 1.73 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 t70 72.87 162.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 0.801 . . . . 0.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 38.7 p 43.85 49.56 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.438 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.33 -21.49 19.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.0 pt 40.78 66.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 142.75 177.42 17.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 58.13 4.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.8 p -121.92 83.31 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.59 102.88 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -160.13 101.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.62 163.98 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.62 -131.01 10.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m 62.46 138.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p 45.02 91.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.97 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.41 -176.22 31.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.86 ' HB2' HD12 ' A' ' 28' ' ' LEU . 50.2 m-20 -127.83 84.84 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 -65.63 147.41 53.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.677 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -149.26 177.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -115.83 101.19 8.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.485 ' SG ' HD12 ' A' ' 87' ' ' LEU . 7.5 t -78.02 142.26 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' CG ' ' CE2' ' A' ' 21' ' ' TYR . 1.3 mpt_? -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.833 ' CG2' HG21 ' A' ' 39' ' ' VAL . 12.7 t -90.21 100.76 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.563 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 9.6 m-85 -70.24 127.1 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -76.43 165.26 54.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 3.88 5.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.565 1.824 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -122.23 13.06 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.0 m170 66.15 70.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' SD ' ' A' ' 16' ' ' MET . 0.1 OUTLIER -169.01 87.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' ' CG ' ' A' ' 13' ' ' ARG . 8.8 p90 -86.29 178.99 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.07 158.08 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -96.8 124.95 40.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.406 HG21 ' CG2' ' A' ' 39' ' ' VAL . 2.5 pt -128.39 -179.74 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -135.9 108.27 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -132.21 168.43 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -90.78 157.11 17.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.86 HD12 ' HB2' ' A' ' 8' ' ' ASP . 4.9 mt -68.0 -23.84 65.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 23.63 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 -178.51 6.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 p -128.04 167.66 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.681 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.6 t -48.85 -48.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -49.49 -60.27 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -40.29 -57.54 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 78' ' ' PHE . 4.2 mt -53.66 -59.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 mt -45.8 -61.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.09 -45.43 7.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.7 m -67.17 -68.11 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.943 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.833 HG21 ' CG2' ' A' ' 14' ' ' VAL . 40.7 t -41.35 -45.73 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -43.72 -41.59 4.93 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' SER . 2.7 mm-40 -60.43 -39.21 86.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' VAL . 25.7 mmmt -64.74 -37.04 86.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.507 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? -58.28 -177.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 5.6 mm-40 -83.68 104.72 14.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 47.3 m-85 -163.28 142.16 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.1 -63.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -150.44 44.87 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' GLU . 7.9 pt-20 41.83 96.79 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.644 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.01 1.45 7.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 49' ' ' PRO . . . 81.08 -177.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.15 -46.17 1.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 163.03 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.78 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.82 -4.21 58.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.32 -61.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 69.8 106.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt -120.51 141.74 49.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 1.9 pt -120.57 147.04 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.681 ' CD2' HG22 ' A' ' 32' ' ' VAL . 14.0 tp -89.82 149.25 22.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 95' ' ' TYR . 39.4 t -151.16 132.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.75 121.26 38.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' ' 100' ' ' PRO . 38.9 t -115.96 135.93 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.89 167.15 9.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.046 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m -70.98 66.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -173.43 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.61 39.87 0.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -107.31 96.77 6.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -87.11 143.98 27.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.3 t -140.0 90.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.36 110.36 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 70' ' ' LEU . 24.4 mt -82.43 176.38 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.53 153.25 77.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 p -116.67 40.39 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.54 -176.1 6.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 13.2 t0 -132.79 -71.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 94.6 m -106.86 96.82 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 108.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' THR . 37.6 t -95.24 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.677 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.0 m-30 -38.18 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.1 m -84.3 -52.12 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -50.31 -45.02 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.56 143.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.05 -166.49 17.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.56 -50.38 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.8 57.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 56.7 m -121.65 130.27 53.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -109.09 143.35 38.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.574 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 81' ' ' LEU . 36.7 mt -87.71 120.57 29.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 98' ' ' LEU . 10.7 m-85 -112.74 125.24 54.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -120.97 114.01 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.998 ' SG ' HD21 ' A' ' 98' ' ' LEU . 8.1 p -157.12 176.23 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.6 p -65.51 154.87 37.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -31.68 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -0.84 33.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.433 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 7.8 m -119.48 -5.83 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.4 t80 -59.97 -40.26 88.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.36 -12.86 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.59 -3.94 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.998 HD21 ' SG ' ' A' ' 90' ' ' CYS . 51.9 mt -69.51 146.92 51.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.718 HG13 ' HD2' ' A' ' 100' ' ' PRO . 60.5 t -138.95 143.48 37.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.718 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.97 133.69 16.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -56.22 161.99 3.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 46.9 mt-10 -142.98 103.29 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 103' ' ' GLU . 29.4 mt-10 -160.75 -174.03 4.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.699 ' O ' HG22 ' A' ' 105' ' ' ILE . 43.0 mm -104.86 42.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -144.98 112.32 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 107' ' ' VAL . 63.4 t 60.84 40.56 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 p -120.59 152.07 55.02 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.95 10.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.38 94.32 0.23 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.32 124.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 112' ' ' THR . 13.8 t -146.98 115.44 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 173.81 170.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.8 mt 68.7 -81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.4 t -58.53 156.19 10.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.8 -86.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.118 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.41 26.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 149.32 46.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.6 p -109.07 -58.56 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 m 43.68 88.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -108.27 -63.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.63 164.51 8.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.48 145.63 54.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -121.87 131.97 54.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.966 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.94 169.83 24.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.7 ' HB2' HD12 ' A' ' 28' ' ' LEU . 87.5 m-20 -129.03 86.28 2.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.17 148.62 49.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.805 HD11 ' CD2' ' A' ' 78' ' ' PHE . 5.3 pt -145.68 176.57 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 63.4 m-85 -111.89 101.42 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.8 t -83.66 150.11 26.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -136.76 114.51 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 39' ' ' VAL . 98.1 t -89.47 106.15 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 17.9 m-85 -73.25 120.64 19.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.486 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 28.5 mmt -73.08 166.42 43.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.796 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.99 -11.24 21.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -106.02 10.57 32.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 62.5 m170 67.59 82.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.94 85.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 32.4 p90 -87.0 178.73 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.571 HG11 ' HB3' ' A' ' 42' ' ' LYS . 35.0 m -135.01 172.86 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -111.03 111.1 21.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.898 HG22 ' HE2' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -125.51 138.76 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.2 ttm180 -96.57 116.59 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -132.2 167.73 19.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.56 144.89 24.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 8' ' ' ASP . 6.0 mt -61.29 -16.49 46.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.84 27.46 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.88 174.9 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.3 m -120.04 172.8 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.57 -50.22 41.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -48.78 -60.56 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.14 -59.27 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 HD11 ' A' ' 24' ' ' ILE . 5.2 mt -49.8 -60.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ILE . 21.2 mt -39.98 -56.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.01 -44.47 25.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' HD13 ' A' ' 24' ' ' ILE . 7.4 m -69.29 -50.2 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 14' ' ' VAL . 46.0 t -56.55 -53.68 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.764 HG22 ' CE1' ' A' ' 45' ' ' TYR . 40.5 m -33.51 -55.73 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -43.84 -53.0 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.898 ' HE2' HG22 ' A' ' 24' ' ' ILE . 11.6 mptt -50.5 -41.05 52.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD21 HG12 ' A' ' 39' ' ' VAL . 2.8 mm? -67.7 -171.59 0.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -147.46 101.18 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.764 ' CE1' HG22 ' A' ' 40' ' ' THR . 1.7 p90 -115.6 103.38 10.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 m -163.13 50.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -137.74 23.96 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -126.79 166.38 22.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.05 0.89 8.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 49' ' ' PRO . . . 70.45 146.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.61 -43.87 2.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -56.76 -56.99 14.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 69.8 171.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.94 -46.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m 65.1 124.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt -108.12 157.54 18.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.6 pt -116.8 143.0 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 89' ' ' ALA . 6.4 tp -88.94 146.06 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.589 HG21 ' CD2' ' A' ' 95' ' ' TYR . 47.1 t -146.67 139.72 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.85 121.06 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.4 t -115.26 135.3 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.71 165.92 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.46 67.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.41 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.81 35.5 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.49 95.89 7.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.767 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -88.73 138.92 30.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 68' ' ' VAL . 16.3 t -137.83 88.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.51 110.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.6 mt -79.82 -179.86 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -134.72 154.68 79.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.07 9.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.5 p -117.5 43.05 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.453 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -85.37 -175.3 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -130.6 -70.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 74.7 m -112.19 97.38 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.86 -64.75 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.805 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.8 m-30 -42.01 -28.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 m -90.39 -51.23 5.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -45.43 -44.81 12.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -43.48 140.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.74 -153.76 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.54 -56.78 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -109.93 45.97 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -105.99 128.15 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -108.85 146.74 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 81' ' ' LEU . 12.6 mt -88.15 137.92 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' HD2' HD22 ' A' ' 98' ' ' LEU . 11.3 m-85 -129.02 121.96 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.831 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -111.13 114.69 28.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.876 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.6 p -159.27 173.88 15.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.7 p -67.78 177.09 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -77.67 -15.58 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -9.37 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ALA . 1.3 m -110.75 -19.88 12.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.589 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.1 t80 -43.57 -44.68 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.31 -28.33 56.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -70.53 -7.71 45.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.876 HD21 ' SG ' ' A' ' 90' ' ' CYS . 53.5 mt -68.12 150.48 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 100' ' ' PRO . 79.2 t -139.46 143.57 36.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -74.98 129.04 11.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -51.1 163.48 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -150.27 87.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -128.93 -172.33 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.256 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -108.32 51.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 176.57 46.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 108' ' ' SER . 7.2 p -167.41 134.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 107' ' ' VAL . 1.3 m 83.39 158.32 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 87.9 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.799 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.89 -164.53 30.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -158.55 -60.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.5 p -54.56 122.64 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -174.11 167.33 4.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.6 mt -113.43 -64.34 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t 179.78 172.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -129.84 156.7 21.55 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -74.98 56.24 4.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' PRO . 38.0 t 39.42 69.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.021 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.8 m 47.05 86.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -172.86 -58.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 110.048 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.94 -56.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.996 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.96 -123.84 1.93 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.0 97.68 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 63.25 153.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.04 129.0 1.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -141.23 77.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -82.92 149.07 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.1 pt -147.55 176.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -117.46 101.3 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 2.0 t -79.77 146.43 32.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -136.39 119.27 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.888 ' CG2' HG21 ' A' ' 39' ' ' VAL . 47.3 t -95.59 106.11 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 30.0 m-85 -75.78 122.16 23.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 34.7 mmt -72.96 164.28 62.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.628 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.95 4.49 4.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.84 11.43 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CD2' HD22 ' A' ' 101' ' ' LEU . 58.8 m170 66.91 82.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -175.97 80.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -86.92 178.31 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.03 168.82 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.61 116.96 32.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.68 135.86 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.88 110.95 20.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -131.9 164.41 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -103.43 173.0 6.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 HD23 ' HB2' ' A' ' 78' ' ' PHE . 17.9 mt -90.66 39.99 1.0 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' ALA . 45.0 m -134.54 -44.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -49.15 176.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -124.42 178.34 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.598 HG23 HG21 ' A' ' 77' ' ' VAL . 3.0 t -50.04 -56.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 20.2 pt20 -42.01 -47.25 4.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -54.78 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 31' ' ' SER . 2.8 mp -47.68 -54.41 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.9 mt -44.78 -53.64 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.3 -50.46 66.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -58.08 -52.75 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.888 HG21 ' CG2' ' A' ' 14' ' ' VAL . 48.2 t -59.86 -50.49 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 m -47.35 -27.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -35.52 63.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 2.2 mmmt -70.52 -34.95 72.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.3 mm? -51.07 144.15 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -45.45 -25.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' A' ' 43' ' ' LEU . 14.7 m-85 -48.5 105.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -154.74 -68.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.82 55.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.83 165.85 33.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.98 8.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.11 171.11 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.42 -50.55 0.82 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -56.3 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 62.92 153.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.3 -45.26 85.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 p 168.69 135.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.74 153.02 23.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.475 ' HB ' HD21 ' A' ' 69' ' ' LEU . 1.3 pt -133.91 139.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 89' ' ' ALA . 9.3 tp -88.58 143.81 26.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.503 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -144.3 135.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.78 121.39 39.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 85' ' ' SER . 41.9 t -115.39 125.39 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.7 t -107.68 164.16 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -22.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.53 27.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 44.52 40.87 6.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -92.0 97.64 11.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -86.51 130.38 34.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.59 94.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD21 ' HB ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -53.73 103.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.6 172.87 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -131.18 156.13 80.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.09 14.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 47.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -86.07 -178.78 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -114.16 -61.11 1.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 79.2 m -133.0 104.99 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.598 HG21 HG23 ' A' ' 32' ' ' VAL . 40.6 t -94.84 -64.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.703 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.4 m-30 -39.71 -35.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 m -84.09 -52.65 6.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -45.97 -48.58 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.846 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.99 128.83 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.98 -161.23 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.48 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.9 mt -78.75 -61.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.48 ' ND2' HG22 ' A' ' 83' ' ' ILE . 2.4 m120 -99.82 48.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m -113.17 134.08 54.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.8 m-70 -118.34 146.4 44.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.138 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.846 HD21 HD21 ' A' ' 81' ' ' LEU . 74.4 mt -88.03 125.22 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' VAL . 9.0 m-85 -118.22 124.92 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.739 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -119.51 113.97 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.877 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.8 p -162.6 176.89 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.0 p -61.28 155.05 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 3.7 mtm180 -63.26 -25.07 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -5.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.415 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.2 m -113.75 -15.08 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.8 t80 -47.98 -40.97 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.35 -23.63 43.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.52 -5.58 56.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.877 HD21 ' SG ' ' A' ' 90' ' ' CYS . 75.9 mt -62.84 140.15 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.668 HG13 ' HD2' ' A' ' 100' ' ' PRO . 72.4 t -133.4 142.77 45.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.668 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.02 132.16 15.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -51.49 162.86 0.64 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 103' ' ' GLU . 3.1 pt-20 -159.74 87.38 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -137.03 -173.39 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 105' ' ' ILE . 45.6 mm -104.48 41.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -176.15 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.1 t -123.69 158.97 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.1 m 57.6 95.17 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 67.7 5.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.504 1.791 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.83 -85.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -59.11 169.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.3 t -142.55 155.85 45.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.42 172.44 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.9 mt -120.37 134.18 64.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.8 p -168.44 169.43 10.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.98 153.64 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.113 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.84 26.14 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.0 t -178.88 142.81 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.0 t 61.78 169.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.76 157.08 27.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.89 136.15 26.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.54 125.11 1.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -145.37 113.22 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -127.67 139.28 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.68 -144.35 8.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.568 ' HB2' HD12 ' A' ' 28' ' ' LEU . 75.1 m-20 -136.38 74.87 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.1 mt-10 -68.65 151.58 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.71 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -150.33 177.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' CE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 m-85 -113.41 101.44 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -80.87 144.15 32.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 108.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -118.96 119.8 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 39' ' ' VAL . 87.6 t -108.35 99.05 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 10.7 m-85 -73.11 158.14 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.4 mmt -107.06 164.29 15.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.66 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.96 4.67 4.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -119.06 15.81 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 66.93 74.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -175.51 114.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 14.5 p90 -113.66 176.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.93 171.0 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 m -114.59 113.25 24.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.862 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -127.21 134.03 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 11.7 ttp180 -95.82 111.04 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.503 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 25.8 t -131.78 169.22 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -89.81 158.48 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 78' ' ' PHE . 6.3 mt -65.61 -12.22 51.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 p -85.62 -29.96 23.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -58.27 126.97 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -93.7 175.73 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.625 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.0 t -40.59 -52.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -49.46 -57.1 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 10.0 m-20 -46.79 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.862 HG23 HD11 ' A' ' 24' ' ' ILE . 3.7 mt -41.54 -57.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.1 mt -40.25 -48.24 2.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.68 -50.74 63.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.508 ' HB2' HD13 ' A' ' 24' ' ' ILE . 73.4 m -58.56 -46.83 86.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 0.793 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.021 HG21 HG21 ' A' ' 14' ' ' VAL . 25.2 t -57.89 -57.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.554 ' HA ' HD23 ' A' ' 43' ' ' LEU . 23.3 m -32.64 -53.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -43.52 -58.71 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -45.26 -41.7 8.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 40' ' ' THR . 2.6 mm? -68.28 172.34 6.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -109.36 25.6 11.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' SER . 0.7 OUTLIER 38.09 92.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.058 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' TYR . 5.1 m -38.47 114.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.83 85.33 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -132.71 140.98 39.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.28 7.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.47 170.0 9.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' ARG . . . 114.97 -55.66 0.53 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.559 1.162 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 51' ' ' GLY . 0.8 OUTLIER 46.8 96.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 49.79 88.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.27 -60.0 2.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m 71.92 123.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -102.28 145.1 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.413 HD13 ' CD ' ' A' ' 92' ' ' ARG . 3.8 pt -118.01 144.32 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 89' ' ' ALA . 8.4 tp -90.94 151.39 21.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG21 ' CD2' ' A' ' 95' ' ' TYR . 46.7 t -153.63 136.63 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.35 121.65 40.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 100' ' ' PRO . 52.6 t -119.62 134.54 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 2.3 t -114.8 168.37 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 69.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t -174.84 -38.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.06 7.67 9.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.81 100.36 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -92.17 145.38 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.2 t -141.45 95.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.24 111.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.8 mt -82.71 176.28 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -130.39 156.01 80.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -9.11 20.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 p -111.96 47.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -86.72 -178.6 6.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.11 -71.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.0 m -118.28 100.94 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.3 t -93.89 -60.38 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 10' ' ' ILE . 12.6 m-30 -42.07 -30.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -88.95 -51.83 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.87 -43.29 28.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.885 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.89 145.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.1 -170.06 13.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.44 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.7 mp -74.86 -49.48 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 83' ' ' ILE . 9.0 m-80 -120.58 51.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 138.69 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 5.1 m-70 -113.22 142.32 45.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.556 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.885 HD21 HD21 ' A' ' 81' ' ' LEU . 54.1 mt -87.76 115.58 25.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.487 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.5 m-85 -105.41 118.58 36.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.758 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -114.33 113.25 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.913 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -163.12 176.98 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.7 p -54.28 169.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.413 ' CD ' HD13 ' A' ' 57' ' ' ILE . 5.0 mmm180 -72.62 -43.86 62.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -10.21 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.421 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 21.3 m -98.83 -9.31 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.491 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.3 t80 -59.0 -37.34 76.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.49 -10.71 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.22 11.23 37.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 ' SG ' ' A' ' 90' ' ' CYS . 47.9 mt -83.64 127.42 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 100' ' ' PRO . 54.0 t -117.75 141.4 28.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.543 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.03 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -53.69 163.0 1.16 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -130.66 -167.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.253 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 65.02 151.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 105' ' ' ILE . 4.7 mm -88.28 46.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -112.22 -167.16 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.7 m -43.14 119.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.71 66.64 0.46 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.68 10.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -113.24 -98.52 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.46 131.87 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.249 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.4 m 61.1 145.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -78.99 142.41 36.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.7 123.3 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -59.84 -44.91 93.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 57.41 73.55 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 72.17 4.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.3 m -164.24 170.78 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.6 p -147.71 152.85 38.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -112.96 95.25 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 0.73 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -109.85 123.2 49.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.64 125.11 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -160.51 153.21 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -102.37 138.17 39.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.42 -163.05 32.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.934 ' CB ' HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -129.79 82.77 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.345 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 27' ' ' ARG . 1.9 pt-20 -70.62 134.02 47.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.68 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -142.74 178.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 47.5 m-85 -118.51 101.53 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 3.8 t -80.39 151.75 29.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -137.31 126.73 24.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.871 ' CG2' HG21 ' A' ' 39' ' ' VAL . 56.0 t -103.05 107.34 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CB ' ' CE1' ' A' ' 88' ' ' PHE . 53.3 m-85 -77.57 121.74 24.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.513 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 32.2 mmt -73.45 165.1 56.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.781 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.97 -12.69 21.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -104.89 11.56 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CD2' HD22 ' A' ' 101' ' ' LEU . 59.6 m170 66.9 84.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.83 81.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.9 p90 -86.91 174.29 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.13 171.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.35 118.93 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.55 HD11 HG23 ' A' ' 35' ' ' ILE . 1.3 pt -127.82 133.59 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -83.71 109.06 17.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -132.16 153.45 50.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 9' ' ' GLU . 4.1 mtt180 -103.12 169.52 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.934 HD12 ' CB ' ' A' ' 8' ' ' ASP . 32.7 mt -75.41 55.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -152.46 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.76 135.42 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 p -95.17 170.68 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG22 HD23 ' A' ' 58' ' ' LEU . 3.0 t -40.34 -48.64 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.41 -55.8 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.568 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.1 m-20 -48.9 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.55 HG23 HD11 ' A' ' 24' ' ' ILE . 3.3 mt -44.19 -61.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 58' ' ' LEU . 14.1 mt -40.65 -44.54 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.33 -55.23 22.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m -56.07 -39.06 71.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.871 HG21 ' CG2' ' A' ' 14' ' ' VAL . 31.3 t -70.5 -52.43 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.2 m -45.14 -25.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.48 -41.52 65.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.2 mmmt -64.43 -36.48 84.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 45' ' ' TYR . 4.0 mm? -57.62 140.8 50.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -82.67 76.06 9.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.491 ' CD2' ' HB3' ' A' ' 43' ' ' LEU . 16.0 m-85 -128.21 84.25 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.3 p -60.13 103.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 48' ' ' GLU . 2.5 tt0 170.26 50.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 47' ' ' GLU . 28.7 mt-10 59.13 151.65 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.11 8.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.92 56.97 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.51 47.26 1.74 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.39 87.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 110.343 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.48 120.26 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 55' ' ' SER . 2.6 m-20 -40.9 -52.54 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.608 ' O ' HG22 ' A' ' 91' ' ' THR . 4.0 p 163.55 109.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -134.94 125.39 26.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD12 HD21 ' A' ' 69' ' ' LEU . 8.1 pt -116.08 145.95 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 HG22 ' A' ' 32' ' ' VAL . 10.6 tp -88.91 146.77 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -148.19 134.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.63 121.6 39.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.633 HG12 ' HB3' ' A' ' 100' ' ' PRO . 61.2 t -113.51 138.04 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.79 169.52 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 112' ' ' THR . 89.6 p -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.3 p -91.75 -1.01 57.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.45 17.38 79.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.27 101.43 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -86.73 135.61 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -135.05 94.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD21 HD12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -53.91 110.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 87' ' ' LEU . 32.9 mt -78.97 178.07 8.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -137.68 157.42 73.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.09 12.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.8 p -116.66 45.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -87.18 179.35 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -109.43 -66.61 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.6 m -142.11 102.04 4.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 81' ' ' LEU . 8.0 t -84.8 -45.26 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.4 m-30 -45.51 -36.0 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -90.35 -46.92 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -47.61 -45.02 27.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.89 HD21 HD21 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -39.66 136.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.68 -156.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.67 -51.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' HB3' ' CA ' ' A' ' 110' ' ' GLY . 31.1 m-80 -118.09 52.49 1.01 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -111.31 149.02 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -127.81 145.45 50.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.89 HD21 HD21 ' A' ' 81' ' ' LEU . 27.9 mt -88.08 142.48 27.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CB ' ' A' ' 15' ' ' TYR . 8.5 m-85 -135.13 124.45 24.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.16 114.62 28.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.979 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -160.97 173.8 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 55' ' ' SER . 62.5 p -69.02 -179.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -40.48 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -10.46 59.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -105.12 -17.83 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.522 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.4 t80 -52.79 -43.02 65.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -77.73 -14.43 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.14 3.51 53.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.979 HD21 ' SG ' ' A' ' 90' ' ' CYS . 73.2 mt -75.09 150.74 38.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.517 HG13 ' HD2' ' A' ' 100' ' ' PRO . 47.0 t -144.21 141.48 18.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.633 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.3 Cg_endo -75.02 140.51 25.47 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -53.79 161.34 1.72 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.28 167.86 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 104' ' ' GLU . 7.1 pt-20 -81.82 88.93 6.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 105' ' ' ILE . 3.2 mt -106.09 18.73 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.542 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 1.3 mt-30 157.88 65.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.8 t 63.17 82.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.92 134.85 8.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.11 23.96 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.422 ' CA ' ' HB3' ' A' ' 84' ' ' ASN . . . 139.26 -130.38 4.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.7 t0 60.01 115.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 112' ' ' THR . 14.9 t -166.67 42.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 73.22 95.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -49.51 109.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 54.1 p -134.91 96.28 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -46.06 170.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 78.76 2.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -150.63 82.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.7 m -85.08 101.12 12.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.95 100.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.53 -63.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.72 155.55 26.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 p -78.0 -27.74 49.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 0.794 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.8 179.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.52 -151.96 23.72 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.596 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.7 m-20 -133.85 76.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CD ' ' NH1' ' A' ' 27' ' ' ARG . 9.5 mt-10 -66.61 149.36 50.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.808 HD11 ' CD2' ' A' ' 78' ' ' PHE . 3.2 pt -151.04 176.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 36.1 m-85 -111.27 101.29 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 7.8 t -80.65 147.3 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -126.78 128.05 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.979 ' CG2' HG21 ' A' ' 39' ' ' VAL . 45.8 t -111.16 101.38 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 10.5 m-85 -72.19 149.8 44.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.461 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 28.4 mmt -98.42 166.13 13.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.741 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 -12.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.92 16.95 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' CD2' HD22 ' A' ' 101' ' ' LEU . 35.5 m170 66.77 79.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.26 103.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -103.61 178.8 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 m -135.88 173.37 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -116.43 119.49 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 38' ' ' SER . 1.0 OUTLIER -133.95 134.99 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -91.28 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.504 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 46.0 t -132.21 168.38 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 9' ' ' GLU . 6.9 mtm-85 -98.18 150.89 21.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 8' ' ' ASP . 2.4 mt -55.82 -24.45 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 t -75.68 -34.39 60.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -47.46 138.85 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -99.18 167.11 10.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.7 t -40.15 -48.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -49.24 -61.0 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.619 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -40.43 -58.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.95 -46.36 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.97 92.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.642 ' HB2' HD13 ' A' ' 24' ' ' ILE . 25.8 m -63.51 -47.92 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.979 HG21 ' CG2' ' A' ' 14' ' ' VAL . 89.0 t -63.59 -52.8 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.7 m -41.87 -37.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.74 -44.22 96.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' VAL . 3.9 mmmt -59.33 -38.28 79.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 4.1 mm? -56.55 166.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 4.5 mt-30 -88.24 81.5 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.482 ' CE2' ' HB3' ' A' ' 43' ' ' LEU . 26.2 m-85 -142.09 131.71 24.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -152.55 -71.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 57.58 1.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.88 115.53 5.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.61 159.83 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.89 -54.6 0.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 60.81 31.59 20.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.598 ' HG2' HG21 ' A' ' 91' ' ' THR . 60.4 mt-10 -102.78 158.27 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.373 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.74 -90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.07 16.26 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt 62.25 131.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 90' ' ' CYS . 4.1 pt -117.17 143.89 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.0 tp -89.05 149.43 23.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -153.98 133.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.14 121.4 36.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.3 t -117.46 136.47 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 169.36 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.21 69.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.96 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.21 25.84 2.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -90.45 95.73 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -89.98 134.96 33.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 68' ' ' VAL . 37.9 t -130.64 87.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.67 109.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.0 -179.15 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -140.66 158.2 66.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.19 12.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.9 p -119.91 48.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -86.39 -175.02 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -121.66 -67.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 2.4 p -124.52 100.45 6.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' THR . 11.0 t -94.73 -66.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.808 ' CD2' HD11 ' A' ' 10' ' ' ILE . 12.4 m-30 -38.43 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . 2.1 m -89.08 -58.57 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -41.05 -43.48 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.852 HD11 ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -44.75 132.08 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.79 -164.3 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 mm -82.11 -49.01 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -115.61 55.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -115.83 132.9 56.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.2 m-70 -111.17 140.74 45.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.598 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.852 ' HG ' HD11 ' A' ' 81' ' ' LEU . 50.4 mt -88.24 131.28 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.658 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.7 m-85 -117.29 125.14 50.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.28 114.12 27.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.912 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -162.88 173.94 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.598 HG21 ' HG2' ' A' ' 53' ' ' GLU . 67.9 p -65.55 -178.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.87 -32.34 51.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -0.88 42.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 m -114.41 -14.43 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.516 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.9 t80 -48.87 -43.89 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.96 -26.9 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.14 -8.37 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.912 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.6 mt -73.4 143.64 46.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 100' ' ' PRO . 76.1 t -131.16 143.19 48.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.95 129.83 12.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -59.81 162.18 10.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -138.74 46.41 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -108.62 -173.54 2.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.42 43.6 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -129.27 114.19 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 107' ' ' VAL . 89.6 t 44.68 56.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.69 120.48 0.42 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 98.24 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -133.04 128.95 5.28 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -66.43 168.92 8.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 30.7 m -66.36 94.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 178.97 134.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 116' ' ' GLY . 2.6 pt -103.35 -30.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t 54.34 60.92 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.585 ' O ' HD12 ' A' ' 114' ' ' ILE . . . 91.12 172.48 43.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -61.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.95 125.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.2 131.69 51.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -40.51 124.83 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.29 142.45 58.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.948 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.69 -122.24 4.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.85 95.95 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.42 150.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.08 138.81 3.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.433 1.083 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.709 ' HB3' HD12 ' A' ' 28' ' ' LEU . 95.1 m-20 -116.34 69.51 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.31 147.95 49.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.5 pt -146.94 177.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.43 101.5 8.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' HD11 ' A' ' 24' ' ' ILE . 46.1 t -74.03 152.17 40.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.307 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -132.71 113.75 13.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 39' ' ' VAL . 32.6 t -99.32 100.57 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 20.9 m-85 -75.26 123.74 25.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.477 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.1 mmt -73.38 166.47 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.771 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.04 -11.3 21.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -106.87 11.79 29.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.2 m170 67.28 81.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.01 82.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 6.2 p90 -86.85 176.83 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.2 m -135.23 173.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.445 ' OG1' ' NH1' ' A' ' 13' ' ' ARG . 2.2 m -111.61 118.64 36.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.526 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -130.76 132.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -91.5 111.4 22.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -132.15 165.8 23.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.76 173.37 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 8' ' ' ASP . 16.1 mt -87.2 45.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -146.16 -45.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.895 ' HB1' ' HB3' ' A' ' 34' ' ' ASP . . . -40.1 122.63 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 p -73.36 173.91 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.656 HG22 HD23 ' A' ' 58' ' ' LEU . 2.3 t -48.19 -50.86 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 9.1 pt20 -57.16 -46.19 82.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.895 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -51.83 -59.15 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 24' ' ' ILE . 5.6 mt -51.88 -55.27 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.2 mt -40.54 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.11 -44.29 63.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' ILE . 70.9 m -67.44 -46.66 72.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 109.968 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 14' ' ' VAL . 61.0 t -62.46 -58.38 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.536 HG23 ' CZ ' ' A' ' 45' ' ' TYR . 3.3 m -38.95 -35.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -50.35 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -55.07 -38.7 68.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 43' ' ' LEU . 3.4 mm? -62.89 140.9 58.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -71.89 85.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CZ ' HG23 ' A' ' 40' ' ' THR . 3.8 m-85 -98.43 80.0 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m -127.35 -80.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -114.96 65.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' CD ' ' HB3' ' A' ' 50' ' ' ALA . 4.9 pt-20 -91.26 155.37 44.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.85 7.31 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HB3' ' CD ' ' A' ' 48' ' ' GLU . . . -69.51 73.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.08 -55.39 24.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -165.8 166.81 17.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.287 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 68.0 166.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.532 ' OD2' HG21 ' A' ' 91' ' ' THR . 0.2 OUTLIER 61.62 121.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t -115.19 -146.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -145.87 132.17 19.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -126.3 149.32 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 32' ' ' VAL . 13.8 tp -88.16 149.79 23.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 95' ' ' TYR . 53.9 t -152.72 146.52 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.36 121.01 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 100' ' ' PRO . 26.2 t -116.91 134.46 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -106.6 163.92 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.15 67.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 m -174.2 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.42 38.27 0.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.17 97.6 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -89.41 139.67 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 68' ' ' VAL . 27.4 t -134.86 88.82 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.51 111.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB3' HG21 ' A' ' 32' ' ' VAL . 42.6 mt -83.29 175.96 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -130.62 154.85 81.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 0.48 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.2 p -118.66 42.82 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -84.5 -176.24 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -121.21 -64.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 96.2 m -127.4 104.96 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -94.37 -60.34 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.742 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.4 m-30 -40.69 -28.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -89.01 -48.83 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -45.4 -52.46 10.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD21 HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -40.13 136.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.81 -161.51 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.48 -57.52 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -104.38 53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 m -121.3 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -120.43 146.21 46.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.76 HD21 HD21 ' A' ' 81' ' ' LEU . 43.2 mt -88.11 144.03 26.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.499 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.9 m-85 -132.79 120.32 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.72 114.38 28.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.976 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.2 p -161.48 174.0 14.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.337 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.532 HG21 ' OD2' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -77.73 168.25 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -41.03 80.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.94 -7.72 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.9 m -107.85 -25.82 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.043 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -48.01 -44.09 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -75.72 -20.36 58.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.24 8.48 21.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.976 HD21 ' SG ' ' A' ' 90' ' ' CYS . 72.2 mt -82.09 146.58 29.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.617 HG13 ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -136.34 142.19 38.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.617 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 132.25 15.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -51.81 164.49 0.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -154.77 99.97 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 -169.33 2.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.575 ' O ' HG22 ' A' ' 105' ' ' ILE . 4.0 mp -100.06 49.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -142.74 -176.3 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 107' ' ' VAL . 34.4 m -55.03 93.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.95 118.48 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 66.22 6.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.46 1.768 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -128.93 113.79 1.63 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.99 128.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.38 160.5 13.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 115' ' ' SER . 2.0 tt0 -99.39 153.77 18.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.1 mm 66.57 -75.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.6 OUTLIER 72.05 150.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -178.52 97.37 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.21 42.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.9 p -149.5 78.03 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 55.9 p -83.44 156.69 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 p -93.49 120.41 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 64.21 93.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.012 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.15 -114.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -154.88 98.49 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.48 -65.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.058 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.79 179.95 29.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.441 ' HB3' HD12 ' A' ' 28' ' ' LEU . 42.9 m-20 -134.05 62.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.78 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mt-10 -79.08 153.82 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.791 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.8 pt -150.48 176.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.535 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 77.3 m-85 -117.0 101.36 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 1.8 t -80.27 149.5 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 108.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -137.55 126.94 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.98 ' CG2' HG21 ' A' ' 39' ' ' VAL . 55.0 t -101.43 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 15.6 m-85 -75.05 121.78 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.473 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.2 mmt -72.45 165.86 47.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.686 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.0 Cg_endo -75.03 -11.15 21.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.426 1.751 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.62 12.83 25.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m170 67.47 84.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 t -175.61 81.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -89.7 178.67 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.47 173.7 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -112.81 119.85 39.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.02 135.31 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 2.3 ttm180 -87.8 112.65 22.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -132.22 166.61 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -104.42 173.33 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 8' ' ' ASP . 23.5 mt -91.55 38.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -131.62 -44.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.647 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -49.59 177.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.2 p -126.29 174.26 8.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.581 HG23 HG21 ' A' ' 77' ' ' VAL . 3.3 t -43.95 -46.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -49.18 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.647 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -46.42 -68.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.3 mp -41.81 -60.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.6 mt -42.48 -50.72 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.79 48.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -61.12 -53.98 50.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.98 HG21 ' CG2' ' A' ' 14' ' ' VAL . 22.2 t -54.63 -58.71 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.4 m -42.47 -38.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -42.77 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.4 mmmt -61.93 -37.61 85.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.9 159.86 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 1.5 mp0 -64.53 97.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.37 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 46.6 m-85 -161.47 94.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 t -138.14 -64.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.24 55.62 1.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.52 162.76 19.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 2.8 6.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.95 71.02 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.09 -56.36 12.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.43 1.081 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 177.47 111.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -177.78 82.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 179.21 -48.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 m 61.42 125.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt -112.35 141.53 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 6.7 pt -107.55 146.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' C ' HG23 ' A' ' 59' ' ' VAL . 11.5 tp -88.53 151.81 22.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.2 t -154.51 132.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.03 121.53 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.414 HG12 ' HB3' ' A' ' 100' ' ' PRO . 57.4 t -115.6 145.01 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -122.35 167.63 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.9 p -68.23 69.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -177.69 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.63 17.91 5.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.01 97.42 8.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 0.787 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -89.81 143.02 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 68' ' ' VAL . 36.9 t -136.06 88.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.09 109.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.588 HD13 HG11 ' A' ' 77' ' ' VAL . 52.8 mt -85.07 176.83 8.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -141.37 158.36 63.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.3 p -120.27 44.06 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -84.01 -177.51 6.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.168 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -112.46 -65.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.61 104.15 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.588 HG11 HD13 ' A' ' 70' ' ' LEU . 3.9 t -94.43 -61.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.791 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -38.69 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' VAL . 3.5 m -87.43 -49.98 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.72 -46.21 40.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.961 HD21 HD21 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -40.52 123.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -56.57 -167.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.4 HG22 ' ND2' ' A' ' 84' ' ' ASN . 2.9 mt -74.74 -52.64 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' ND2' HG22 ' A' ' 83' ' ' ILE . 2.9 m120 -112.11 51.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -112.47 138.33 49.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -119.35 145.91 45.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.961 HD21 HD21 ' A' ' 81' ' ' LEU . 71.6 mt -88.53 137.75 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HD2' HD22 ' A' ' 98' ' ' LEU . 13.0 m-85 -126.97 119.97 27.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' ILE . . . -106.49 114.88 29.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.873 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.8 p -159.01 174.21 15.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 108.272 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.5 p -63.52 -169.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -87.22 -27.19 23.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -6.77 58.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 m -105.37 -15.67 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.9 t80 -49.77 -41.87 45.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -31.74 59.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.62 -11.22 52.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.873 HD21 ' SG ' ' A' ' 90' ' ' CYS . 58.1 mt -65.71 140.29 58.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 100' ' ' PRO . 58.1 t -129.46 141.65 42.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -74.96 130.64 13.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -54.8 164.05 1.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 16.0 tt0 -139.03 105.73 5.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 103' ' ' GLU . 32.2 mt-10 -160.43 -173.26 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 mp -97.3 45.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.5 OUTLIER -121.94 -156.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 m -52.47 93.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 106' ' ' GLN . 72.0 p -171.04 146.17 2.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 83.44 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.0 170.84 55.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -177.17 89.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.9 m 63.72 123.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.29 169.5 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.1 mt 65.79 89.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.19 -61.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -178.06 156.95 20.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 83.66 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.0 t -87.73 163.02 16.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.5 p -101.89 133.24 46.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.11 96.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.6 98.72 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.81 172.86 0.37 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -172.41 -62.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.23 110.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.31 -144.92 4.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.83 76.56 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -73.77 145.93 44.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.634 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -147.48 173.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.63 100.71 8.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 t -86.95 152.85 22.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 1.7 mpt_? -136.54 120.0 16.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.016 ' CG2' HG21 ' A' ' 39' ' ' VAL . 73.5 t -92.04 101.9 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.533 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 15.4 m-85 -71.44 119.29 15.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.9 mmt -72.93 165.56 51.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.838 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.99 -11.72 21.5 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.88 10.67 32.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.6 m170 67.67 82.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 t -176.43 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 22.9 p90 -86.3 178.53 7.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -139.93 156.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -93.85 125.68 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.68 132.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -88.49 107.39 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 10' ' ' ILE . 22.6 t -132.15 160.86 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 149.68 21.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.752 HD23 ' HB2' ' A' ' 78' ' ' PHE . 2.5 mt -58.29 -26.22 62.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -45.32 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -44.17 163.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -117.82 169.76 9.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.543 HG13 HD22 ' A' ' 58' ' ' LEU . 5.0 t -40.19 -47.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -47.99 -62.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -41.05 -65.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.7 mp -42.5 -58.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 36' ' ' LEU . 11.1 mt -42.49 -62.61 0.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.96 -42.3 38.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -64.43 -58.04 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.016 HG21 ' CG2' ' A' ' 14' ' ' VAL . 32.1 t -52.33 -46.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 m -41.64 -42.55 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.62 -42.22 98.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.3 mmtt -61.97 -37.93 86.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.681 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? -58.69 137.23 57.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.9 74.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' A' ' 43' ' ' LEU . 13.5 m-85 -129.9 99.37 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.0 t -94.5 173.09 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.047 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 76.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -129.81 162.44 53.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 2.19 6.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.38 -179.93 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.32 -53.55 4.87 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.58 -61.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 50.21 94.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.35 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -89.22 -61.3 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 92.7 p -170.36 126.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.08 129.63 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 8.3 pt -109.04 146.66 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 89' ' ' ALA . 9.3 tp -88.55 157.06 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' C ' ' A' ' 58' ' ' LEU . 99.4 t -156.94 142.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.44 121.33 44.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 67' ' ' LYS . 83.4 t -119.12 130.94 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.3 167.4 9.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.0 p -70.33 69.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.84 -38.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.99 36.38 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -105.02 102.03 11.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HG2' HG22 ' A' ' 61' ' ' VAL . 7.0 mtmm -92.61 135.21 34.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 68' ' ' VAL . 24.5 t -130.98 88.21 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.15 109.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 70' ' ' LEU . 15.7 mt -85.39 176.28 8.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -134.48 156.86 78.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -5.93 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.559 1.821 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.23 44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -85.47 -175.49 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -117.14 -73.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 82.0 m -116.59 102.22 9.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.515 HG21 HG23 ' A' ' 32' ' ' VAL . 40.1 t -95.44 -68.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.752 ' HB2' HD23 ' A' ' 28' ' ' LEU . 10.3 m-30 -37.38 -32.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.9 m -87.34 -51.6 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -42.61 -49.31 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.94 133.44 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.5 -157.94 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mp -81.38 -52.28 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -114.82 56.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' HD13 ' A' ' 81' ' ' LEU . 8.5 m -112.16 142.17 44.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.526 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 2.5 m-70 -122.09 139.64 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.937 HD21 HD21 ' A' ' 81' ' ' LEU . 58.2 mt -87.98 127.81 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.617 ' HZ ' HD23 ' A' ' 101' ' ' LEU . 65.1 m-85 -119.67 118.66 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -107.75 114.34 28.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.941 ' SG ' HD21 ' A' ' 98' ' ' LEU . 30.0 p -157.02 173.62 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -62.6 176.24 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.44 59.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.44 -7.09 45.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -108.03 -16.11 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.3 t80 -49.15 -41.27 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -81.69 -19.14 42.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.62 1.15 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.941 HD21 ' SG ' ' A' ' 90' ' ' CYS . 44.3 mt -78.57 150.67 32.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.722 HG13 ' HD2' ' A' ' 100' ' ' PRO . 76.9 t -139.57 143.67 36.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.722 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 126.7 10.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.617 HD23 ' HZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -53.0 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -143.37 65.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.5 -174.06 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 105' ' ' ILE . 3.2 mp -106.91 45.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 -169.04 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.0 t -95.67 83.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.5 OUTLIER 167.45 -54.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.04 -172.21 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.45 162.07 28.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.49 176.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.774 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.4 t -113.27 143.82 43.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.05 163.05 2.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.43 176.83 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.38 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -131.62 157.34 22.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 173.15 15.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.4 m -88.45 134.79 33.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.955 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.5 t -64.5 149.84 47.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -167.37 127.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.31 125.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.69 -130.68 6.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -125.87 86.53 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.964 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -180.0 157.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.24 -105.09 0.21 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.564 1.165 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' CB ' HD12 ' A' ' 28' ' ' LEU . 11.4 m-20 42.45 77.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.0 mt-10 -77.3 147.78 36.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.688 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -149.39 174.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 52.9 m-85 -117.27 101.32 8.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.503 ' HB3' HD11 ' A' ' 24' ' ' ILE . 11.0 t -76.54 144.19 39.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 21' ' ' TYR . 2.7 mpp_? -127.22 119.24 25.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.992 ' CG2' HG21 ' A' ' 39' ' ' VAL . 79.4 t -97.05 98.8 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.7 m-85 -71.51 127.01 31.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.462 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mmt -78.16 166.21 44.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.754 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.01 -11.68 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -107.3 13.46 27.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.7 m170 66.91 82.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.45 85.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 33.8 p90 -87.12 178.09 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 m -139.24 163.97 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -102.26 122.6 44.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -132.98 137.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -85.71 110.65 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -132.5 161.84 32.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HG2' ' CG ' ' A' ' 9' ' ' GLU . 31.1 mtt180 -109.57 172.28 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 78' ' ' PHE . 15.3 mt -87.41 44.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . 94.6 p -139.12 -45.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.61 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.462 ' O ' HD12 ' A' ' 35' ' ' ILE . 1.7 p -132.14 171.34 13.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.088 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 58' ' ' LEU . 4.5 t -39.87 -51.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -44.6 -62.73 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.538 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -42.65 -67.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 mt -42.26 -61.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 36' ' ' LEU . 13.1 mt -40.88 -46.57 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.11 -57.17 12.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 m -53.39 -36.71 61.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.992 HG21 ' CG2' ' A' ' 14' ' ' VAL . 15.8 t -74.32 -60.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.643 ' HA ' HD23 ' A' ' 43' ' ' LEU . 53.6 m -38.19 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 30.1 mt-10 -67.21 -49.75 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.0 mmmt -53.37 -36.39 61.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.5 mm? -59.03 163.62 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -108.4 104.01 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -118.23 124.66 48.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.09 161.87 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.5 73.46 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -121.63 160.54 45.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.12 6.97 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.84 175.91 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.86 -56.89 0.56 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.75 107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -124.8 144.16 50.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -153.92 -51.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.8 p 175.03 133.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.71 134.57 53.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.72 146.57 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.528 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.0 tp -88.5 152.12 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 95' ' ' TYR . 61.3 t -154.69 134.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.78 120.96 35.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -114.32 137.02 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.83 169.41 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -14.39 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 m -101.59 30.02 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.69 47.11 9.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.39 99.44 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -91.56 131.45 36.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 t -131.35 96.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.67 109.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 mt -84.57 175.15 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -134.43 157.61 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.34 9.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.4 p -122.97 46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 17.8 mm-40 -85.53 -176.65 6.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -117.61 -69.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 64.6 m -120.65 100.84 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.402 HG21 HG23 ' A' ' 32' ' ' VAL . 21.7 t -95.18 -66.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.688 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.3 m-30 -38.67 -31.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -86.67 -48.1 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.441 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -44.25 -49.81 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.788 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.8 137.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.79 -161.66 5.07 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 mt -75.69 -55.37 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.53 56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.8 m -118.4 141.86 48.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -123.27 146.41 47.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.612 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.788 HD21 HD21 ' A' ' 81' ' ' LEU . 44.6 mt -88.82 137.98 31.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 98' ' ' LEU . 10.0 m-85 -126.84 123.93 38.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.35 114.74 28.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.89 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -161.44 173.53 14.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.313 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.6 p -66.47 -167.5 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -86.64 -34.72 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -76.83 -7.8 56.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ALA . 34.2 m -107.28 -24.58 11.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 95' ' ' TYR . 2.4 t80 -42.54 -41.53 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -79.58 -31.0 41.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -67.02 -10.79 53.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.89 HD21 ' SG ' ' A' ' 90' ' ' CYS . 62.9 mt -65.03 149.8 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 100' ' ' PRO . 80.3 t -136.01 142.98 42.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.04 127.85 10.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -52.08 165.03 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.68 62.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -147.85 -174.27 4.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 105' ' ' ILE . 5.2 mt -106.8 42.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -129.42 91.25 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.5 t 61.38 81.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.13 167.25 5.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.22 13.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.55 166.13 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -106.14 118.71 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 p -59.66 105.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.46 135.34 57.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.9 pt 41.4 62.37 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 t -95.48 143.08 27.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.29 157.91 15.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 134.49 17.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 12.4 t -125.52 -57.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.05 88.3 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m 54.97 86.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.783 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -164.71 91.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.96 -55.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 m 69.54 -68.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -111.81 145.64 39.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.7 -152.36 24.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.534 ' CB ' HD12 ' A' ' 28' ' ' LEU . 15.0 m-20 -122.44 81.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 5.2 mt-10 -75.88 145.06 40.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.636 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -149.03 161.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -104.09 101.49 11.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.514 ' HB3' HD11 ' A' ' 24' ' ' ILE . 50.7 t -78.02 152.9 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -137.28 119.12 15.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.831 ' CG2' HG21 ' A' ' 39' ' ' VAL . 94.0 t -101.69 102.53 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 27.6 m-85 -72.58 125.46 27.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 31.7 mmt -71.28 163.71 63.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.64 4.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.6 14.91 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.626 ' NE2' HD22 ' A' ' 101' ' ' LEU . 21.9 m170 66.7 81.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.69 81.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -87.19 178.3 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.8 m -138.28 173.8 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -110.27 114.67 28.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.514 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.1 pp -126.95 134.22 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -88.5 111.71 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.5 t -131.5 159.91 36.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -99.46 174.03 6.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD12 ' CB ' ' A' ' 8' ' ' ASP . 16.8 mt -89.92 40.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -132.49 -44.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.683 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -50.81 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -132.62 175.88 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG23 HG21 ' A' ' 77' ' ' VAL . 3.7 t -43.24 -45.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.21 -61.39 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.683 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -40.79 -67.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.5 mp -42.78 -63.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.4 mt -40.08 -44.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.59 56.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -60.14 -45.7 92.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.831 HG21 ' CG2' ' A' ' 14' ' ' VAL . 54.7 t -63.79 -51.1 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.696 HG23 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 m -40.55 -37.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.96 -46.37 81.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.5 mmmt -57.94 -38.67 76.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.649 ' CD2' HG12 ' A' ' 39' ' ' VAL . 4.0 mm? -57.29 140.08 51.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' TYR . 60.3 mt-30 -45.44 -47.23 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CZ ' HG23 ' A' ' 40' ' ' THR . 0.6 OUTLIER 36.49 85.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -174.0 -68.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -120.43 44.93 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.28 153.57 71.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.19 8.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.83 152.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.73 -36.99 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 70.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.757 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -140.41 170.69 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.15 -88.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -142.89 15.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt 62.31 132.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 pt -115.12 143.21 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' A' ' 32' ' ' VAL . 13.4 tp -90.08 149.34 22.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.531 HG21 ' CD2' ' A' ' 95' ' ' TYR . 39.3 t -153.25 136.6 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.57 38.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG22 ' HG2' ' A' ' 67' ' ' LYS . 92.7 t -116.93 139.76 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.84 167.79 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 69.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.2 t -176.93 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.26 31.72 1.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -96.71 95.76 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 61' ' ' VAL . 7.0 mtmm -87.56 145.46 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -141.44 92.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.6 110.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.98 178.6 7.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 155.18 77.68 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -7.15 18.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 p -115.21 49.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -87.07 179.25 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.66 -55.43 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.3 m -141.47 104.6 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 108.273 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.646 HG21 HG23 ' A' ' 32' ' ' VAL . 21.9 t -93.84 -58.78 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -41.96 -32.31 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 m -83.66 -59.86 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -43.52 -45.18 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.75 131.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.14 -164.28 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 mm -86.23 -45.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.39 45.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 139.6 44.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -114.36 147.02 39.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.543 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 81' ' ' LEU . 41.9 mt -87.55 125.34 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' HD2' HD22 ' A' ' 98' ' ' LEU . 5.7 m-85 -115.21 130.25 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.08 113.73 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.909 ' SG ' HD21 ' A' ' 98' ' ' LEU . 8.2 p -154.99 174.57 14.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 p -64.36 -174.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -84.48 -17.85 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 2.51 44.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.0 m -113.67 -15.47 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.052 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.531 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.3 t80 -48.61 -39.08 22.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.81 -25.29 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.69 -6.8 50.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.909 HD21 ' SG ' ' A' ' 90' ' ' CYS . 47.0 mt -68.35 146.12 53.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 100' ' ' PRO . 87.9 t -132.92 142.6 45.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.5 Cg_endo -74.97 127.67 10.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.626 HD22 ' NE2' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -58.58 163.62 4.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.42 115.86 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -155.21 -170.65 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 105' ' ' ILE . 9.6 mm -119.96 45.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -161.38 91.57 0.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 107' ' ' VAL . 97.0 t 61.25 58.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.6 t -172.44 100.18 0.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 77.12 3.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -140.16 163.77 26.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -92.78 99.95 12.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 t -65.19 131.9 47.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.9 147.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 114' ' ' ILE . 3.9 mp -117.13 66.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.39 87.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.03 -170.28 37.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 102.38 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.7 t -66.83 136.14 54.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.024 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 t -136.19 129.66 32.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.79 108.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.97 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -118.87 86.69 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.34 85.8 0.32 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -71.18 94.34 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -119.65 127.68 53.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.08 -151.38 6.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.934 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.9 m-20 -120.66 82.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mt-10 -67.82 147.6 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.4 pt -150.96 173.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -114.86 102.73 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 p -102.46 148.82 25.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 1.0 OUTLIER -126.22 140.13 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 39' ' ' VAL . 25.5 t -108.52 102.01 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 45.8 m-85 -68.93 149.76 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.9 mmt -101.19 164.83 15.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.03 4.64 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.31 15.67 11.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 m170 66.92 76.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.09 109.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 6.4 p90 -114.85 172.16 7.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 27.5 m -132.47 164.07 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -103.27 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.759 HD11 HG23 ' A' ' 35' ' ' ILE . 6.3 pt -126.62 141.27 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -99.79 110.35 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -132.02 169.21 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -99.01 173.9 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.934 HD12 ' HB2' ' A' ' 8' ' ' ASP . 52.3 mt -84.06 48.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -149.42 -45.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' A' ' 34' ' ' ASP . . . -39.87 128.97 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' VAL . 9.5 p -83.79 166.05 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.576 HG22 HD23 ' A' ' 58' ' ' LEU . 2.6 t -39.84 -47.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.277 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -53.33 -56.52 15.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.722 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -43.14 -60.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.759 HG23 HD11 ' A' ' 24' ' ' ILE . 2.7 mp -49.83 -59.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' ILE . 18.7 mt -39.66 -43.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -49.22 63.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -59.02 -41.81 88.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.677 HG21 ' CG2' ' A' ' 14' ' ' VAL . 55.3 t -71.66 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' VAL . 18.6 m -37.88 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.07 -50.72 70.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 8.9 mmmt -53.62 -39.93 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' CD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mm? -59.58 -173.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -126.58 97.77 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -141.52 178.67 7.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.7 p -103.23 168.15 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -104.72 71.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -103.85 160.11 27.16 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ALA . 18.3 Cg_endo -74.95 75.13 3.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' PRO . . . 40.37 64.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.78 -50.83 4.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -51.36 -52.86 41.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 63.99 76.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -146.98 -46.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m 70.57 132.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.89 151.51 19.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 89' ' ' ALA . 2.5 pt -124.74 139.72 50.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 89' ' ' ALA . 13.4 tp -89.94 150.89 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 95' ' ' TYR . 38.4 t -150.18 143.93 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.34 120.42 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 100' ' ' PRO . 39.3 t -115.92 127.41 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 p -100.55 177.18 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.7 p -67.74 -9.34 43.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 t -100.45 1.13 40.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.65 32.62 57.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -88.24 99.9 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -86.4 135.84 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.57 99.39 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 110.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.37 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 32' ' ' VAL . 14.5 mt -82.24 176.38 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -131.44 154.87 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.11 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 p -118.72 42.16 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.78 -177.39 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -128.83 -73.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 97.5 m -102.42 93.5 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.0 t -95.34 -66.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.2 m-30 -46.22 -24.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -90.48 -53.76 4.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -46.38 -50.81 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.46 140.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.63 -163.81 3.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.65 -58.0 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.6 54.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -115.84 126.46 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.964 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -104.9 140.14 38.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 81' ' ' LEU . 53.4 mt -87.95 133.85 33.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' HD2' HD22 ' A' ' 98' ' ' LEU . 11.6 m-85 -122.71 118.01 27.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.616 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -112.59 113.71 26.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.852 ' SG ' HD21 ' A' ' 98' ' ' LEU . 9.9 p -160.53 176.6 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 p -61.04 161.2 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -69.52 -12.12 61.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.4 -3.67 54.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.452 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 3.1 m -117.09 -8.51 11.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 59' ' ' VAL . 3.2 t80 -55.93 -38.37 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -6.43 59.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.59 13.87 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.852 HD21 ' SG ' ' A' ' 90' ' ' CYS . 20.3 mt -84.81 143.29 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.495 HG13 ' HD2' ' A' ' 100' ' ' PRO . 43.0 t -130.7 141.06 40.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.527 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.3 Cg_endo -74.95 129.26 12.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -58.02 162.17 5.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.521 1.8 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 58.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.75 -169.44 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.92 48.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.81 68.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 107' ' ' VAL . 95.8 t 58.81 65.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.2 p 179.25 111.84 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 93.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.802 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -159.14 151.21 22.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -165.86 152.61 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.8 m 46.23 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.61 173.72 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 114' ' ' ILE . 5.4 mp -111.11 -63.56 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.3 t -127.27 170.58 12.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -144.29 -162.13 9.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -53.64 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 -58.64 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.35 85.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -126.06 103.64 7.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.966 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -174.83 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.15 169.85 11.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.11 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.02 119.12 29.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.13 97.03 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.4 -177.81 25.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.87 ' HB2' HD12 ' A' ' 28' ' ' LEU . 30.3 m-20 -131.03 80.48 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 13.4 mt-10 -65.11 146.42 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.615 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -151.72 170.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 25' ' ' ARG . 31.8 m-85 -111.82 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 42.6 t -73.23 145.12 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -124.27 119.32 28.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.056 HG21 HG21 ' A' ' 39' ' ' VAL . 55.7 t -102.47 98.71 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 22.2 m-85 -70.81 139.98 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 25.9 mmt -89.19 166.02 23.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.734 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.97 -11.71 21.56 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.72 15.89 25.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.6 m170 66.66 78.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.8 t -175.78 96.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 13' ' ' ARG . 17.4 p90 -95.2 178.32 5.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -135.06 169.63 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -110.06 123.84 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.502 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -137.21 127.72 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HG3' ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -81.5 112.06 18.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -132.2 169.14 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 3.2 ttm180 -102.7 178.11 4.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.87 HD12 ' HB2' ' A' ' 8' ' ' ASP . 17.7 mt -91.16 38.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.13 -45.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -42.93 146.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -100.13 173.79 6.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 t -46.86 -48.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -54.17 -57.93 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 1.4 m-20 -43.15 -62.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.502 HG23 HD11 ' A' ' 24' ' ' ILE . 4.8 mt -47.93 -57.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.2 mt -40.4 -44.15 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.89 54.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -59.36 -55.57 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.056 HG21 HG21 ' A' ' 14' ' ' VAL . 63.2 t -48.55 -57.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.54 ' HA ' HD23 ' A' ' 43' ' ' LEU . 11.1 m -32.8 -54.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -57.93 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -46.12 -42.03 13.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.625 HD21 HG12 ' A' ' 39' ' ' VAL . 2.5 mm? -68.05 174.68 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -132.66 106.2 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 1.2 p90 -117.28 113.4 22.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.7 m -44.13 163.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.44 68.8 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.273 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.16 161.71 22.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 2.21 6.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.99 66.2 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.04 57.29 0.72 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -70.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.59 102.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -177.47 116.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 56' ' ' LEU . 1.3 m -135.62 13.06 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' SER . 4.9 mt 61.3 145.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.546 HD12 HD21 ' A' ' 69' ' ' LEU . 7.6 pt -112.21 146.67 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.554 ' CD2' HD22 ' A' ' 87' ' ' LEU . 9.0 tp -88.44 153.05 21.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.507 HG21 ' CD2' ' A' ' 95' ' ' TYR . 60.2 t -154.97 137.12 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.68 121.25 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 85' ' ' SER . 89.2 t -116.02 136.41 53.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.71 169.9 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t -62.2 -13.59 29.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.38 27.32 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.78 47.03 13.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.97 96.31 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -87.19 137.62 32.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.84 98.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 57' ' ' ILE . 0.8 OUTLIER -61.3 104.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -75.67 177.62 6.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -128.87 154.86 80.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -4.12 14.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 p -114.2 45.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.16 -178.66 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -126.06 -55.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 71.9 m -126.56 97.55 5.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 79' ' ' THR . 26.9 t -95.15 -63.62 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -41.24 -27.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 77' ' ' VAL . 2.4 m -87.36 -43.95 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -52.09 -41.27 62.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -40.26 124.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.88 -166.98 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.9 mt -74.32 -50.09 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -120.96 49.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 2.8 m -108.15 148.01 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.8 m-70 -124.88 144.58 50.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.542 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' A' ' 81' ' ' LEU . 36.4 mt -88.03 128.31 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.61 ' HD2' HD22 ' A' ' 98' ' ' LEU . 9.3 m-85 -117.68 125.43 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.8 114.76 28.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.898 ' SG ' HD21 ' A' ' 98' ' ' LEU . 14.1 p -161.99 172.93 15.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 108.319 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 p -73.2 179.52 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -72.2 -23.02 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -8.07 56.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' ALA . 6.3 m -108.28 -23.99 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -44.89 -42.82 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.35 -23.82 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -77.96 -1.21 30.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.898 HD21 ' SG ' ' A' ' 90' ' ' CYS . 61.3 mt -73.91 148.32 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.653 HG13 ' HD2' ' A' ' 100' ' ' PRO . 95.9 t -134.63 142.51 42.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.0 130.35 13.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -57.94 163.65 4.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -140.94 91.27 2.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.69 -169.14 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 105' ' ' ILE . 65.8 mt -112.3 45.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.93 37.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 107' ' ' VAL . 5.2 p -171.11 57.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -173.85 162.38 3.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 82.96 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.8 172.4 13.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.7 159.62 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.793 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.8 m 60.4 105.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -169.72 119.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 45.2 mt -98.81 97.28 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.84 122.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.7 142.26 11.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.26 2.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.81 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.5 135.89 50.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.64 116.57 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.05 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -151.74 -59.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 0.732 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.32 130.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.57 54.42 4.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -175.21 99.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 0.729 . . . . 0.0 109.965 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -137.41 88.62 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.26 81.99 0.12 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.846 ' HB2' HD12 ' A' ' 28' ' ' LEU . 47.0 m-20 -133.97 74.34 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -68.08 142.67 55.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -146.07 177.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.6 m-85 -111.24 101.43 9.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 14.7 t -83.49 152.56 24.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.71 125.72 30.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.986 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.7 t -100.17 104.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 20.2 m-85 -72.82 150.19 42.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.443 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 30.1 mmt -103.91 165.6 13.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.11 15.12 28.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.0 m170 66.49 81.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.07 109.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -110.07 176.71 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.3 m -133.16 169.08 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 m -109.69 125.36 52.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.507 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -139.72 136.74 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -87.2 113.26 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.3 t -131.75 167.74 18.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 30' ' ' ALA . 75.4 mtm180 -114.15 144.13 43.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' A' ' 8' ' ' ASP . 6.5 mt -49.85 -25.88 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -70.58 -34.15 71.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -58.18 172.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.439 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.7 p -131.72 172.61 12.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.61 HG23 HG21 ' A' ' 77' ' ' VAL . 7.4 t -43.6 -46.0 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -49.19 -53.34 21.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 2.8 t0 -50.97 -66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.8 mp -43.21 -58.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.6 mt -46.73 -63.71 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.95 -48.75 9.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -61.87 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.986 HG21 ' CG2' ' A' ' 14' ' ' VAL . 42.0 t -43.45 -52.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' VAL . 54.2 m -37.72 -41.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.05 -50.74 72.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 11.0 mmmt -53.33 -39.91 64.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.611 ' CD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mm? -59.54 160.59 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 22.7 mp0 -87.43 75.04 9.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 44' ' ' GLN . 23.4 m-85 -140.47 179.75 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -95.17 169.93 9.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.29 39.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.259 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.96 101.15 15.38 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.25 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 18.5 Cg_endo -74.97 75.19 3.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 49' ' ' PRO . . . 177.11 65.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.24 48.11 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.46 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 49.24 78.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.44 -45.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.3 m 72.2 131.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.37 146.05 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pt -122.85 138.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 89' ' ' ALA . 5.6 tp -89.75 150.21 22.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 95' ' ' TYR . 51.6 t -149.41 131.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.46 121.53 36.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.689 HG12 ' HB3' ' A' ' 100' ' ' PRO . 40.4 t -115.35 130.7 69.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.2 t -114.77 165.94 12.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.06 -24.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.5 28.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' SER . . . 41.04 31.65 0.5 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -84.43 97.94 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -83.56 135.66 34.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -134.08 99.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.951 HD12 ' CE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -62.21 99.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.8 mt -74.04 174.24 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -135.98 158.62 73.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.02 9.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.43 1.753 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.1 p -119.72 45.41 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -87.9 -179.99 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -108.99 -70.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.0 m -131.91 100.53 5.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 108.273 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.61 HG21 HG23 ' A' ' 32' ' ' VAL . 21.5 t -88.23 -56.26 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.651 ' HB2' HD23 ' A' ' 28' ' ' LEU . 10.8 m-30 -42.89 -27.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . 5.7 m -89.98 -57.29 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.91 -47.3 5.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.15 129.95 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.54 -159.05 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.4 mm -92.05 -37.11 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -117.63 48.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.2 m -118.04 150.52 39.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 4.5 m-70 -132.28 145.8 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.643 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.871 HD21 HD21 ' A' ' 81' ' ' LEU . 62.2 mt -88.39 122.13 31.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.8 m-85 -114.84 122.69 47.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.841 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -112.19 115.83 29.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.939 ' SG ' HD21 ' A' ' 98' ' ' LEU . 15.0 p -161.68 173.89 14.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.5 p -69.08 169.73 11.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -68.61 -18.51 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.64 -5.32 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 m -117.81 -5.56 11.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.951 ' CE2' HD12 ' A' ' 69' ' ' LEU . 2.1 t80 -58.75 -40.93 85.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -12.22 58.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.16 7.78 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.939 HD21 ' SG ' ' A' ' 90' ' ' CYS . 49.4 mt -82.91 138.9 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 100' ' ' PRO . 41.4 t -126.06 141.33 39.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.689 ' HB3' HG12 ' A' ' 61' ' ' VAL . 18.2 Cg_endo -75.02 133.22 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -63.24 162.08 27.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -153.38 107.33 3.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -139.11 -174.01 3.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.753 ' O ' HG22 ' A' ' 105' ' ' ILE . 7.9 mt -105.33 42.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.22 116.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.5 t 63.18 133.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.2 p 73.48 140.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.453 ' CD ' ' OH ' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.04 138.12 22.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 151.39 148.78 4.89 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -137.26 172.36 13.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.753 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 52.8 m 62.09 162.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 56.3 97.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.2 pt -105.42 179.64 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 55.9 107.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -138.23 74.55 0.4 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' SER . 18.3 Cg_endo -74.96 105.82 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.6 m 57.72 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 117' ' ' PRO . 4.6 m 66.86 88.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.06 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 m -128.92 112.03 13.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.95 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.59 134.41 28.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.24 138.85 25.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 0.729 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -162.06 -53.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.04 -148.69 7.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.92 ' HB2' HD12 ' A' ' 28' ' ' LEU . 5.2 m-20 -127.59 82.15 2.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.76 142.95 54.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.786 HD11 ' CD2' ' A' ' 78' ' ' PHE . 3.1 pt -146.65 176.96 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 25' ' ' ARG . 20.5 m-85 -116.34 101.72 8.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HB3' HD11 ' A' ' 24' ' ' ILE . 39.0 t -78.96 151.11 31.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -137.39 119.11 15.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.963 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.7 t -99.03 104.57 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 16.5 m-85 -75.14 122.8 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.46 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.0 mmt -73.68 166.01 47.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.758 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.3 Cg_endo -75.02 -11.58 21.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.83 12.64 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.564 ' NE2' HD22 ' A' ' 101' ' ' LEU . 31.5 m170 66.68 81.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.12 87.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -91.19 178.8 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.88 172.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -110.18 119.47 39.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER -129.12 141.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -91.16 111.71 23.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 t -132.17 154.24 49.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.75 175.53 6.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.92 HD12 ' HB2' ' A' ' 8' ' ' ASP . 19.4 mt -90.78 38.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -136.55 -45.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -44.92 167.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -118.1 170.76 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' A' ' 58' ' ' LEU . 2.5 t -42.86 -48.94 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -47.13 -54.93 9.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.567 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -47.38 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -40.01 -55.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.4 mt -45.49 -51.95 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.79 17.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m -54.76 -51.0 67.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.963 HG21 ' CG2' ' A' ' 14' ' ' VAL . 37.0 t -58.74 -56.44 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 m -44.36 -40.58 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.68 -37.33 81.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' VAL . 1.6 mmmt -66.88 -36.66 82.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.07 173.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 5.8 mt-30 -105.02 76.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 44' ' ' GLN . 22.3 m-85 -139.49 175.18 9.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 p -122.73 172.95 8.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' GLU . 5.4 pt-20 -63.93 -19.98 65.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' GLU . 5.0 mm-40 58.51 154.23 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.86 8.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.36 71.7 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -42.2 -49.59 5.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.459 1.099 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.75 100.83 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -170.89 122.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.12 -70.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 77.52 133.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.87 140.16 29.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 pt -112.81 143.86 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' C ' HG23 ' A' ' 59' ' ' VAL . 13.8 tp -88.9 153.06 21.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.9 t -154.33 136.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 87' ' ' LEU . . . -96.74 121.29 38.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.37 129.39 71.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -109.93 167.38 10.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 t -66.89 69.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.6 OUTLIER -177.29 -36.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.021 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.74 13.49 6.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 95.98 4.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -90.39 133.95 34.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 t -129.43 90.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.25 110.81 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.4 mt -81.28 177.32 9.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -137.74 157.57 73.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -4.24 15.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -118.53 47.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.6 -179.34 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.97 -73.1 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 21.9 p -120.45 101.29 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.268 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.1 t -94.73 -66.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.786 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -39.17 -37.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 111.049 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 80' ' ' ALA . 2.4 m -80.54 -52.74 7.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -39.66 -55.49 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 85' ' ' SER . 0.2 OUTLIER -45.11 133.56 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.32 -136.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -105.73 -50.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -101.3 63.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' HD13 ' A' ' 81' ' ' LEU . 1.5 m -136.03 130.84 34.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.4 m-70 -113.82 139.52 49.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.616 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 60' ' ' ALA . 79.8 mt -87.92 139.54 30.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.61 ' HD2' HD22 ' A' ' 98' ' ' LEU . 13.2 m-85 -127.75 123.87 36.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.27 114.14 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.945 ' SG ' HD21 ' A' ' 98' ' ' LEU . 15.5 p -161.14 174.03 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.8 p -60.97 -171.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -27.15 26.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -12.79 57.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' ALA . 3.4 m -100.47 -21.91 15.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.508 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -45.19 -40.89 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.15 -25.03 40.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -73.76 -4.48 34.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.945 HD21 ' SG ' ' A' ' 90' ' ' CYS . 30.7 mt -74.12 145.71 44.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 100' ' ' PRO . 93.9 t -135.15 142.29 41.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.623 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 128.22 11.3 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' NE2' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -56.77 162.57 3.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -143.83 47.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -118.71 -173.81 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.261 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 105' ' ' ILE . 4.3 mp -112.38 46.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.404 ' C ' HG12 ' A' ' 107' ' ' VAL . 5.0 mt-30 -124.09 104.38 8.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 107' ' ' VAL . 11.2 p 41.24 50.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.3 t -166.06 83.04 1.01 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -43.71 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.455 1.766 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 39.94 65.25 0.95 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.6 t0 58.43 94.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.3 m -92.24 153.0 19.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.379 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 178.16 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.8 pt -123.11 133.6 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.6 m -101.28 123.47 45.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.35 98.67 0.12 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.1 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.451 1.763 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 144.07 55.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.8 t -143.65 143.49 31.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.153 . . . . 0.0 111.045 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.29 154.41 44.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.78 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -157.05 127.97 6.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.42 112.91 0.86 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.6 114.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.973 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -127.99 170.11 13.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.9 -157.58 26.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 28' ' ' LEU . 3.6 m-20 -125.21 81.84 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' ' CG ' ' A' ' 27' ' ' ARG . 4.0 mt-10 -72.77 149.83 43.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.0 pt -148.46 176.35 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -120.67 101.59 7.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' HD11 ' A' ' 24' ' ' ILE . 6.3 t -80.71 153.42 27.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -137.32 124.63 21.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.935 ' CG2' HG21 ' A' ' 39' ' ' VAL . 89.0 t -98.2 100.03 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.5 m-85 -71.32 123.39 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.475 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 31.2 mmt -75.46 165.84 50.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.788 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.97 -11.52 21.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 13.58 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.7 m170 66.7 82.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -175.58 85.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -90.08 178.68 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 171.64 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -110.14 122.65 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 12' ' ' CYS . 1.1 pp -132.75 129.43 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -85.19 110.37 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -132.22 164.12 27.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' CG ' ' HG3' ' A' ' 9' ' ' GLU . 22.9 mtp180 -105.17 166.76 10.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 8' ' ' ASP . 6.2 mt -84.46 48.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 34' ' ' ASP . . . -51.19 -178.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 p -130.11 171.94 12.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.638 HG22 ' CD2' ' A' ' 58' ' ' LEU . 3.1 t -41.35 -49.83 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -46.77 -56.85 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.643 ' CB ' ' HB1' ' A' ' 30' ' ' ALA . 13.5 t70 -47.96 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 78' ' ' PHE . 2.4 mp -42.8 -54.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 36' ' ' LEU . 14.2 mt -48.73 -50.61 32.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.48 -46.64 93.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -61.74 -50.4 72.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.935 HG21 ' CG2' ' A' ' 14' ' ' VAL . 69.9 t -63.43 -59.01 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.657 ' HA ' HD23 ' A' ' 43' ' ' LEU . 30.9 m -38.23 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.84 -50.21 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' VAL . 4.1 mmmt -53.01 -36.8 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 40' ' ' THR . 3.2 mm? -60.55 155.0 19.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -101.52 102.78 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -117.59 -54.86 2.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 p 177.89 -176.61 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.042 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.28 68.33 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.223 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 8.8 pt-20 -150.06 136.01 10.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 48' ' ' GLU . 18.4 Cg_endo -74.93 0.86 8.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.52 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.85 -53.59 0.6 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.7 81.14 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 0.73 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.74 87.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.75 -61.69 1.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.6 p 179.25 127.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt -139.41 140.65 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -120.6 146.71 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.638 ' CD2' HG22 ' A' ' 32' ' ' VAL . 15.9 tp -89.17 152.33 21.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 95' ' ' TYR . 25.5 t -152.57 145.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.38 120.99 43.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 67' ' ' LYS . 94.8 t -115.51 132.65 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' SER . 0.6 OUTLIER -110.01 166.52 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.85 69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -177.15 -36.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.59 28.91 2.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.12 95.93 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 61' ' ' VAL . 4.1 mtmp? -88.75 142.72 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.79 99.17 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.5 107.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -80.26 175.95 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -134.66 157.17 77.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.6 p -122.67 48.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -85.13 -178.48 6.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -114.28 -64.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 67.9 m -132.15 102.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.521 HG21 HG23 ' A' ' 32' ' ' VAL . 32.7 t -94.05 -62.28 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.75 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.2 m-30 -40.95 -30.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.6 m -90.39 -50.58 5.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -43.71 -52.38 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.729 HD21 HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.47 140.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.63 1.48 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.426 HG22 ' ND2' ' A' ' 84' ' ' ASN . 3.4 mt -77.61 -53.02 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 83' ' ' ILE . 3.3 m120 -112.39 51.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.533 ' HB2' HD13 ' A' ' 81' ' ' LEU . 5.4 m -106.96 147.01 30.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -125.34 142.96 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.729 HD21 HD21 ' A' ' 81' ' ' LEU . 46.9 mt -89.45 138.75 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.46 ' HD2' HD22 ' A' ' 98' ' ' LEU . 12.1 m-85 -128.88 119.68 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.95 115.96 31.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.913 ' SG ' HD21 ' A' ' 98' ' ' LEU . 17.0 p -157.68 173.92 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 108.337 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 p -67.85 168.06 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -13.55 62.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.55 -10.11 25.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m -105.84 -14.49 15.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.535 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -55.82 -36.23 67.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.65 -8.02 59.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.16 16.01 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.8 mt -89.43 149.38 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 100' ' ' PRO . 77.9 t -137.83 142.86 37.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 139.65 24.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -64.35 162.83 29.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -164.64 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -126.84 129.09 47.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -141.2 -170.65 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.552 ' O ' HG22 ' A' ' 105' ' ' ILE . 5.1 mp -110.18 53.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.33 109.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.43 110.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.3 m 64.5 137.23 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 68.06 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.39 -138.3 2.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -102.28 116.83 33.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.75 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.2 t -153.89 166.77 31.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.92 161.75 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 mp -47.07 110.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.25 123.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 168.18 81.2 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.37 3.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.82 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.1 p 39.72 89.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 t -103.89 -57.82 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -95.88 -58.16 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.52 101.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.35 77.91 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.118 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -56.79 -62.68 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 110.049 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 p -72.77 149.86 43.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 173.56 41.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.492 ' CB ' HD12 ' A' ' 28' ' ' LEU . 1.2 m-20 -141.24 79.71 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -61.87 145.4 52.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.928 HD11 ' CD2' ' A' ' 78' ' ' PHE . 1.6 pt -145.37 175.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 88.7 m-85 -116.54 101.07 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -98.62 157.07 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 108.319 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -134.47 158.63 43.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.947 ' CG2' HG21 ' A' ' 39' ' ' VAL . 76.6 t -132.25 99.78 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.635 ' CD1' ' CB ' ' A' ' 21' ' ' TYR . 4.3 m-85 -67.6 157.75 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.49 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 30.9 mmt -106.16 166.52 11.09 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.5 Cg_endo -74.96 -11.33 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.08 15.83 26.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.5 m170 66.88 80.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.01 103.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.635 ' CB ' ' CD1' ' A' ' 15' ' ' TYR . 15.1 p90 -110.76 171.63 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 22.4 m -136.98 168.41 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -108.86 130.27 55.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.854 HD11 HG23 ' A' ' 35' ' ' ILE . 1.2 pt -135.76 143.97 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 1.2 ttt180 -98.03 114.03 26.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -132.15 169.05 16.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.98 147.09 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.492 HD12 ' CB ' ' A' ' 8' ' ' ASP . 4.4 mt -59.38 -16.6 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -100.45 29.59 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.69 -179.35 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.3 m -133.15 158.54 42.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.574 HG22 HD22 ' A' ' 58' ' ' LEU . 2.7 t -39.67 -47.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -50.78 -60.4 3.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -42.73 -63.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.854 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 mt -48.53 -59.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 36' ' ' LEU . 12.3 mt -39.84 -67.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.78 -50.1 5.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -60.16 -37.17 79.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.043 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 ' CG2' ' A' ' 14' ' ' VAL . 71.9 t -72.49 -54.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.9 m -41.92 -35.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -45.19 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' VAL . 6.3 mmmt -58.84 -38.17 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 39' ' ' VAL . 4.2 mm? -55.18 162.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -108.05 72.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -119.0 100.59 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 t -160.67 -59.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.56 56.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -126.61 162.87 44.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 2.3 6.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.68 80.36 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.74 -53.49 30.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.19 97.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -171.52 97.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -162.9 93.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.97 122.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -126.12 137.82 53.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -106.4 148.98 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.574 HD22 HG22 ' A' ' 32' ' ' VAL . 6.8 tp -88.82 149.31 23.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 95' ' ' TYR . 48.0 t -152.61 137.84 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.7 121.22 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.3 128.06 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' SER . 1.8 m -108.93 169.1 8.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 68.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.6 t -174.82 -38.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.92 3.71 8.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.66 97.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -90.92 143.24 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 t -138.88 99.64 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.41 111.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 31.4 mt -85.0 178.69 7.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -134.19 154.44 80.05 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.39 9.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -118.41 43.98 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.04 -178.29 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -127.64 -69.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.5 m -111.86 94.36 4.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 79' ' ' THR . 21.7 t -95.09 -62.86 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.928 ' CD2' HD11 ' A' ' 10' ' ' ILE . 11.6 m-30 -42.63 -27.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' VAL . 1.9 m -85.13 -57.91 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.36 -50.46 5.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.21 130.68 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.08 -145.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.9 mt -97.59 -52.67 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -101.06 61.49 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.3 p -123.66 133.6 53.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.34 133.22 55.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD22 ' CD2' ' A' ' 58' ' ' LEU . 54.6 mt -88.23 110.19 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' HB3' HD13 ' A' ' 98' ' ' LEU . 13.8 m-85 -98.86 124.05 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.05 115.3 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.958 ' SG ' HD21 ' A' ' 98' ' ' LEU . 13.9 p -161.91 173.81 13.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 71.9 p -67.51 -177.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.83 51.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -10.65 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 97' ' ' ALA . 18.2 m -106.63 -18.93 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.955 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.521 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.5 t80 -47.24 -41.56 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.76 -21.6 40.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -76.75 -1.9 30.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.958 HD21 ' SG ' ' A' ' 90' ' ' CYS . 32.7 mt -75.13 144.8 42.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.616 HG13 ' HD2' ' A' ' 100' ' ' PRO . 85.2 t -130.8 141.82 43.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.616 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.01 134.79 18.22 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -65.02 161.88 43.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.67 ' HD2' HG21 ' A' ' 107' ' ' VAL . 18.3 Cg_endo -75.0 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.11 174.08 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.77 143.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.8 mm -96.81 43.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.52 62.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.67 HG21 ' HD2' ' A' ' 102' ' ' PRO . 28.0 m -100.32 -173.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER 166.42 -53.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.98 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.15 -64.53 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -118.04 119.27 34.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.2 t -95.9 163.09 13.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.5 168.71 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.5 mt -97.88 -63.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.4 142.32 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -158.56 101.94 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.51 8.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.552 1.817 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 p 62.73 107.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.1 m -62.98 85.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.7 121.56 45.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -139.63 134.83 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.01 -172.61 29.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -168.77 106.24 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -111.54 125.32 53.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.29 107.61 0.71 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.598 ' HB2' HD12 ' A' ' 28' ' ' LEU . 2.1 m-20 -118.22 67.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 3.9 mt-10 -71.07 150.6 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.844 HD11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 pt -150.89 177.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -114.33 101.65 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.16 149.67 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -136.76 119.78 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.611 HG12 ' CE ' ' A' ' 16' ' ' MET . 81.0 t -97.42 101.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 41.1 m-85 -75.29 119.31 19.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.611 ' CE ' HG12 ' A' ' 14' ' ' VAL . 35.5 mmt -70.17 164.02 56.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.699 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.4 Cg_endo -74.99 5.18 4.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.31 11.34 9.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.1 m170 66.75 83.97 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 t -175.76 77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -86.95 177.6 7.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.07 173.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -111.52 122.53 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -138.05 128.92 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -87.34 109.82 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' ' CB ' ' A' ' 30' ' ' ALA . 47.0 t -132.17 169.26 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -101.04 160.48 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 78' ' ' PHE . 3.4 mt -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ALA . 8.1 t -67.34 -43.43 81.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' OG ' ' A' ' 26' ' ' SER . . . -39.98 129.14 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 p -92.66 162.62 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.533 HG22 HD22 ' A' ' 58' ' ' LEU . 4.0 t -39.99 -43.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -54.87 -52.67 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.34 -70.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 2.5 mp -42.06 -55.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.0 mt -45.37 -45.26 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.43 -47.99 66.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.55 -43.0 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.016 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG21 ' CG2' ' A' ' 14' ' ' VAL . 40.7 t -69.93 -51.54 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 17.5 m -45.75 -24.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -74.14 -35.57 64.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' VAL . 10.8 mmmt -69.1 -36.96 78.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 3.6 mm? -57.73 168.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -102.92 106.18 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CE1' ' O ' ' A' ' 40' ' ' THR . 0.5 OUTLIER -120.03 86.99 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -113.05 -179.34 3.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.47 62.72 6.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -98.94 153.11 37.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.42 7.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.782 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.27 59.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.18 58.16 0.71 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -76.27 100.03 4.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.4 126.78 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.81 -49.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 p 173.71 132.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.88 128.84 54.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pt -113.42 142.62 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 70' ' ' LEU . 7.8 tp -89.27 153.08 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' A' ' 95' ' ' TYR . 58.7 t -154.72 130.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.88 121.51 36.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.449 HG12 ' HB3' ' A' ' 100' ' ' PRO . 40.1 t -115.86 138.38 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -117.72 170.37 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 p -56.15 -19.85 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.8 p -92.31 11.65 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.49 28.06 64.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.22 99.88 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -85.05 141.05 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.18 96.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 109.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.651 HD12 HD23 ' A' ' 58' ' ' LEU . 21.7 mt -82.55 175.23 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -135.99 156.86 76.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.56 18.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 p -114.41 44.38 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -84.98 -179.72 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -120.1 -69.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -119.3 97.97 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 108.328 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.483 HG21 HG23 ' A' ' 32' ' ' VAL . 40.5 t -94.83 -64.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.844 ' CD2' HD11 ' A' ' 10' ' ' ILE . 10.0 m-30 -39.96 -28.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 77' ' ' VAL . 3.2 m -87.3 -55.85 3.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' THR . . . -39.62 -45.22 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -39.98 143.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.46 -160.34 5.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.93 -47.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -122.62 50.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -105.47 142.69 34.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -121.44 143.85 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.576 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 81' ' ' LEU . 91.7 mt -88.2 147.91 24.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 8.6 m-85 -137.19 127.25 25.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -120.5 113.41 20.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.937 ' SG ' HD21 ' A' ' 98' ' ' LEU . 23.8 p -162.8 176.64 10.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 108.264 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.3 p -57.06 162.65 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -65.35 -39.93 92.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -9.44 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 29.4 m -100.97 -9.99 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.069 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 59' ' ' VAL . 4.2 t80 -60.18 -38.11 82.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -82.39 -6.22 59.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.6 5.1 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.937 HD21 ' SG ' ' A' ' 90' ' ' CYS . 63.3 mt -73.32 133.39 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.481 HG13 ' HD2' ' A' ' 100' ' ' PRO . 61.9 t -123.79 138.99 31.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.481 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 131.88 14.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -57.76 163.31 4.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.0 41.37 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -117.82 -169.25 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.2 44.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.517 ' O ' ' C ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -122.62 103.28 8.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.725 ' O ' HG13 ' A' ' 107' ' ' VAL . 5.5 p 31.11 58.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -175.15 153.45 1.56 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.07 21.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.63 -61.92 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 112' ' ' THR . 0.7 OUTLIER 53.65 100.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 111' ' ' ASP . 9.0 t 45.11 -169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' N ' ' OG1' ' A' ' 112' ' ' THR . 2.4 tp10 178.02 160.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.51 124.73 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 m -158.87 -59.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 111.14 -143.99 17.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 111.17 3.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.77 163.84 14.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.85 134.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -116.69 -59.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 53.87 95.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.89 159.82 13.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.107 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.95 -61.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 142.83 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.64 109.91 0.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -131.06 65.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' C ' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -89.1 152.61 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 78' ' ' PHE . 2.1 pt -150.93 164.4 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.35 101.63 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 133.44 36.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.47 121.52 42.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.088 HG21 HG21 ' A' ' 39' ' ' VAL . 53.0 t -97.2 100.15 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.583 ' CD1' ' HB3' ' A' ' 86' ' ' HIS . 26.4 m-85 -68.99 154.25 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 32.6 mmt -107.8 164.26 15.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HB3' HD23 ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.01 4.96 4.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.49 13.52 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 m170 66.64 76.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.622 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -176.4 102.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -99.98 178.59 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.5 m -134.46 173.44 14.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -117.3 118.61 32.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 35' ' ' ILE . 1.6 pt -125.08 -177.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -136.72 111.53 8.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -132.01 169.37 16.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -95.23 149.82 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 78' ' ' PHE . 5.3 mt -61.08 -16.96 49.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.27 25.75 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.47 178.23 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -127.05 162.56 25.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 58' ' ' LEU . 3.0 t -43.54 -47.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -48.77 -61.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.12 -57.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 78' ' ' PHE . 3.4 mt -53.7 -60.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 36' ' ' LEU . 15.3 mt -41.13 -60.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.75 -43.48 22.6 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -66.71 -50.7 61.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.96 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.088 HG21 HG21 ' A' ' 14' ' ' VAL . 85.2 t -59.62 -57.68 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.624 ' HA ' HD23 ' A' ' 43' ' ' LEU . 5.6 m -36.02 -38.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -62.33 -49.99 73.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 39' ' ' VAL . 17.0 mmmt -52.22 -40.01 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 39' ' ' VAL . 3.2 mm? -58.49 163.38 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.88 104.66 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -117.46 121.49 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.3 m -101.75 174.9 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.18 80.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -133.81 161.57 62.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.45 7.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.73 87.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.48 -48.99 40.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -99.63 -50.94 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 117.12 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -162.49 90.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 61.0 m 64.9 127.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt -110.07 137.14 48.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 pt -118.0 139.45 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 89' ' ' ALA . 12.1 tp -89.14 154.93 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 95' ' ' TYR . 65.4 t -155.23 132.6 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.71 121.47 37.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.486 HG12 ' HB3' ' A' ' 100' ' ' PRO . 24.6 t -118.24 134.46 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 165.54 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.28 66.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -173.4 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.13 39.69 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.86 96.42 6.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -88.63 138.13 31.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.5 t -133.85 89.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.88 112.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 70' ' ' LEU . 27.4 mt -88.08 177.79 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.22 155.92 79.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.24 9.14 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.443 1.76 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 p -118.83 43.35 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.16 -177.7 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.71 -72.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 71.8 m -105.45 94.39 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.04 -69.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.9 m-30 -45.77 -24.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -89.17 -53.6 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' CYS . . . -49.36 -49.51 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -45.24 132.53 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.33 -153.56 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.3 mt -91.73 -57.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.441 ' H ' ' ND2' ' A' ' 84' ' ' ASN . 2.0 p30 -98.14 61.15 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 42.9 m -130.51 122.7 28.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 1.9 m-70 -103.42 138.11 40.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.564 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' TYR . 29.2 mt -88.13 126.09 34.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' HD2' HD22 ' A' ' 98' ' ' LEU . 14.4 m-85 -114.36 119.32 36.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.69 ' HB2' HD12 ' A' ' 58' ' ' LEU . . . -113.13 113.72 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.807 ' SG ' HD21 ' A' ' 98' ' ' LEU . 12.4 p -162.71 176.56 10.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.4 p -56.29 175.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -32.96 48.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -0.38 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.43 ' CB ' ' SG ' ' A' ' 90' ' ' CYS . 9.4 m -115.07 -1.87 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.499 ' CD2' HG21 ' A' ' 59' ' ' VAL . 2.8 t80 -64.31 -37.73 88.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.2 -13.46 59.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.54 -3.98 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.807 HD21 ' SG ' ' A' ' 90' ' ' CYS . 48.5 mt -69.32 135.57 50.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 100' ' ' PRO . 94.1 t -129.97 142.49 45.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.08 129.11 11.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -58.88 162.02 7.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.42 71.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -118.44 -172.62 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.562 ' O ' HG22 ' A' ' 105' ' ' ILE . 4.5 mp -110.1 40.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.35 119.12 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 107' ' ' VAL . 47.6 t 58.59 58.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.8 p -178.73 147.41 0.54 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -76.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.05 -96.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.48 85.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.9 m 54.46 92.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.44 110.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.2 mt 64.57 125.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 t -68.67 -46.22 69.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.88 91.2 1.86 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 60.76 5.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.7 p 53.75 174.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.78 -72.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 179.962 . . . . . . . . 0 0 . 1 stop_ save_