data_2loo_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 2loo _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 ' 8' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.51 0.195 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.08 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 -64.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.28 -40.35 70.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 t -53.07 -52.36 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 m -60.99 -36.94 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.72 -54.97 38.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.12 -25.59 72.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -52.58 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.03 -55.73 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.76 73.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.97 -56.11 9.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -41.9 68.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.35 -58.4 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 t -49.67 -37.78 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.58 61.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -41.63 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.2 -41.3 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.99 67.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.43 -10.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.8 mttt -54.15 -42.42 69.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.1 p -68.33 -38.9 80.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' PHE . 7.0 tp -62.3 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 85.8 t80 -37.0 -41.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 18.6 m -68.36 -58.21 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -46.22 -40.56 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -38.01 71.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.417 ' O ' ' CG2' ' A' ' 65' ' ' THR . 0.9 OUTLIER -65.1 -59.36 4.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -35.76 77.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -58.19 -52.34 65.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 62' ' ' PHE . 8.9 t -66.61 -27.17 67.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.61 -65.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.94 89.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.53 -74.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -53.3 -56.43 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -44.54 -32.86 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.8 -48.6 21.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -42.31 59.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -67.66 -53.71 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -22.34 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.26 -68.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -47.71 -25.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 90' ' ' MET . 2.1 tt -86.53 -44.28 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -21.3 56.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -45.0 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -18.06 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.27 -60.26 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.347 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.51 0.195 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.55 67.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.67 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.52 -40.15 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -55.11 -51.34 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -61.48 -34.24 75.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.29 -56.94 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.25 -27.55 69.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.52 68.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.26 -67.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.74 -66.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.457 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -51.86 -45.83 55.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -53.29 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.23 -41.83 72.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 82' ' ' LEU . 69.0 t -61.68 -37.75 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.24 -29.66 64.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -49.38 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -68.14 -28.42 67.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.35 -56.35 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 4.4 t70 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.7 t -54.95 -19.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 31.4 tttt -67.91 -39.94 83.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 52' ' ' ASP . 11.0 p -78.41 -27.09 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.422 ' N ' HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -64.61 -52.72 56.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tt -73.17 -55.93 5.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.6 t80 -44.43 -41.48 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.444 ' CG2' HG13 ' A' ' 35' ' ' VAL . 54.9 m -71.5 -55.54 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -45.57 -41.62 10.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -43.14 68.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.09 -61.45 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.13 -39.16 78.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -55.02 -45.61 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -69.41 -32.73 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 mm -64.81 -64.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -46.07 92.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.937 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.16 -30.52 75.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.41 -74.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -53.94 -49.76 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.44 -33.78 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -74.38 -49.82 11.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -47.03 -44.77 20.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -51.09 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -28.3 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -77.3 -63.26 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.3 ttm -42.4 -35.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -46.37 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -25.44 4.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -47.47 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -11.58 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.32 -37.49 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.9 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.483 0.182 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.83 -27.63 66.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.38 -64.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.23 -40.02 70.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.46 -49.21 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -62.09 -36.47 81.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -62.5 -56.89 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.53 -27.64 69.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -48.93 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.3 -51.33 69.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.53 -58.67 12.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -46.15 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.5 -58.79 6.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.1 t -46.57 -38.05 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.55 -34.49 56.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -40.57 95.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.63 -44.95 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' ' SD ' ' A' ' 89' ' ' MET . . . -54.3 -44.06 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 77.7 t -96.15 -11.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -64.89 -36.04 83.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.441 ' O ' ' CB ' ' A' ' 59' ' ' THR . 11.4 p -73.28 -38.29 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -57.8 -60.01 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.66 -62.02 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 54.0 t80 -43.08 -35.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.0 m -69.14 -56.88 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 86' ' ' LEU . . . -52.22 -41.44 62.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -46.44 87.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.43 -43.75 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.17 -64.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 m -44.21 -29.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mm -78.97 -79.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -64.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.938 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.92 65.26 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -73.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.56 -53.52 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.81 -31.91 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.48 -52.45 7.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -45.5 -45.22 13.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 90' ' ' MET . 18.9 m -67.76 -58.99 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.427 ' C ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -45.04 -25.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.462 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.4 ttp -80.54 -52.62 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -55.27 -21.65 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -91.43 -44.94 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -64.4 -15.91 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 -50.35 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.7 -18.4 53.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.3 t -54.44 -50.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.505 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.83 64.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.24 -63.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.94 -42.7 80.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 t -53.7 -48.96 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m -61.73 -37.56 84.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -62.64 -54.87 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -27.52 70.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -46.97 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.67 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 tp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.21 70.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.85 -55.54 29.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.46 -45.31 25.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.58 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -50.44 -39.13 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.53 -37.76 58.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -52.1 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.21 -32.25 73.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.01 91.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 t -106.42 -10.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -56.59 -46.57 80.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 12.2 p -64.74 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -60.34 -66.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 17.0 t80 -35.94 -36.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 4.0 m -69.68 -62.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -44.37 -43.64 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CD1' HD23 ' A' ' 57' ' ' LEU . 1.3 m-85 -62.75 -48.6 78.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -67.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -43.46 -38.81 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -59.89 -61.17 2.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.5 m -54.75 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -43.34 -53.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 46.3 mtp -45.72 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.58 53.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 7.5 tp -58.86 -64.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.15 -56.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.48 -31.02 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.47 -46.3 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 87' ' ' SER . 0.3 OUTLIER -55.49 -42.72 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.415 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 15.2 t -64.69 -58.03 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.01 -30.1 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -68.38 -68.06 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -53.22 -19.41 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.462 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 70.1 mt -87.7 -32.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -21.36 56.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -48.8 6.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.19 -17.73 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.8 t -49.0 -54.31 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.46 0.171 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.07 -23.72 61.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -59.72 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.7 -42.07 92.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t -53.08 -52.9 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -62.35 -32.85 73.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.32 -54.32 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.31 -23.61 76.3 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -51.89 44.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -65.69 -50.3 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.42 82.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.73 -54.65 24.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -43.07 63.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.5 -50.68 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 16.2 t -57.83 -36.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.93 -38.95 75.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -56.49 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 35' ' ' VAL . 3.5 pp -60.23 -29.34 68.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.79 -60.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.58 -12.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.52 -44.67 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.2 p -69.67 -38.58 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 t -52.59 -58.42 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -69.53 -64.1 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 18.9 t80 -37.08 -37.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 33.7 m -73.8 -60.95 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' A' ' 82' ' ' LEU . . . -41.34 -45.21 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -44.96 72.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.21 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -45.85 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.54 -53.0 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -56.53 -54.13 49.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.3 mm -48.6 -63.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.5 mmt -42.4 -67.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.14 83.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -47.44 -68.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.7 m -54.32 -42.9 59.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.21 -32.74 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.96 -45.01 10.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -51.74 -43.06 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -72.49 -56.25 5.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -31.01 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 ttp -76.01 -65.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -40.26 -33.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.5 mt -85.39 -45.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -20.1 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -44.17 6.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.09 -18.32 24.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.78 -60.22 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.476 0.179 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -23.36 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -65.12 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.39 -42.25 73.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -54.85 -47.52 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -62.16 -37.23 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.61 -54.76 30.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.43 -28.46 71.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -48.86 65.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.2 mm -69.27 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' ILE . . . -66.45 -51.84 52.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.469 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -59.05 -59.79 10.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.29 -54.45 8.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD1' HD21 ' A' ' 38' ' ' LEU . 58.2 t80 -47.8 -53.68 14.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG2' HD23 ' A' ' 82' ' ' LEU . 90.0 t -55.35 -33.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.54 72.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -53.4 37.38 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.501 HD21 ' CD1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -63.29 -26.63 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.81 -58.82 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.77 -10.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 8.8 mttp -59.97 -48.88 79.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 8.1 p -73.25 -34.53 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -52.78 -57.41 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.58 -62.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.1 t80 -37.05 -41.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 87.1 m -72.8 -59.69 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -40.97 -43.15 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.78 -44.7 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.48 -63.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.3 -43.95 71.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -48.63 -53.96 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -56.55 -51.28 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.99 -64.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.76 -40.75 36.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -59.51 -62.07 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.4 -54.47 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -50.54 -29.75 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -70.9 -51.04 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -53.19 -43.6 67.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' MET . 0.3 OUTLIER -61.53 -59.11 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -30.64 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.3 ttp -66.14 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' SER . 16.8 ptm -47.78 -31.09 4.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 19.3 mt -79.08 -32.32 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -72.84 -22.42 60.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -46.4 8.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -15.34 59.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.7 t -74.48 -65.97 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.7 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.476 0.179 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.34 64.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.42 -62.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.92 -42.24 89.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 t -54.37 -50.31 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -62.29 -34.33 76.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.62 -51.66 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.83 -25.76 74.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -51.42 28.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.22 -63.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.54 -57.37 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.96 -44.52 98.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -58.38 6.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -55.86 -39.91 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.22 -34.2 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.14 -42.54 50.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -49.15 78.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.92 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -89.21 -15.67 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.9 tttt -59.7 -46.15 89.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.9 p -70.73 -36.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -56.71 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -74.1 -63.32 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 9.0 t80 -36.4 -38.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 96.7 m -75.77 -60.89 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' THR . . . -40.43 -46.19 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -43.51 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -57.13 -63.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -48.73 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.92 -42.24 26.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -73.21 -39.87 65.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.01 -59.21 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 ttp -69.07 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.45 -19.19 59.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.44 HD23 ' CG2' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -59.3 -79.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.44 ' CG2' HD23 ' A' ' 82' ' ' LEU . 49.1 t -64.66 -48.96 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -52.3 -30.74 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -51.54 9.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -44.31 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -66.19 -54.0 30.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -20.83 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -67.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -50.67 -22.11 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 1.2 tp -90.03 -42.27 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -30.01 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -94.23 -50.42 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 90' ' ' MET . 3.5 tp -55.22 -19.86 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 3.7 t -72.63 -76.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.445 0.164 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.32 -26.58 60.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.21 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.83 -43.36 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.91 -49.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -63.88 -32.34 73.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -65.18 -52.47 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.75 77.18 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -53.82 20.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.78 -57.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.4 58.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.52 -49.23 70.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -42.44 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.22 -49.89 75.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 59' ' ' THR . 99.3 t -54.73 -38.97 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.87 -37.59 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -54.54 45.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 59' ' ' THR . 4.6 pp -62.67 -34.83 77.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.18 -42.12 80.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.5 t -98.35 -10.87 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -49.57 -46.71 49.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.6 p -67.87 -37.56 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.62 -64.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -62.93 -64.44 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 64.8 t80 -36.35 -43.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 20.9 m -66.55 -58.49 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -45.89 -41.03 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -61.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.8 OUTLIER -57.03 -40.67 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -56.35 -56.36 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.7 m -56.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.0 mt -40.3 -53.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 3.1 mmt -48.57 -68.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.45 -52.58 25.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -45.42 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.1 t -47.22 -55.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -41.89 -34.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.22 14.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -54.52 -37.76 65.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 t -72.48 -56.04 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -31.2 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.1 ttp -76.38 -54.06 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.06 -30.68 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 5.3 tt -85.91 -40.76 14.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -62.14 -18.5 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.38 -47.03 5.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.45 -14.54 57.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 4.1 t -72.94 -64.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.2 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.469 0.176 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 -21.7 63.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.8 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.98 -39.91 69.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.31 -48.76 76.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -62.52 -37.15 84.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.28 -53.75 50.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -25.89 72.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -52.23 46.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.3 -63.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 30' ' ' ILE . . . -62.57 -57.94 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.22 -53.76 40.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.127 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.0 -63.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CG ' HD11 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -44.78 -58.37 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 82' ' ' LEU . 35.3 t -44.34 -40.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.21 -45.94 83.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -42.09 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.69 -39.94 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.96 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -104.12 -10.77 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -47.81 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.2 p -64.01 -30.13 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -57.64 11.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.23 -57.81 10.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -50.84 -29.8 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.4 m -71.01 -52.58 18.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -56.68 -45.27 81.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.36 -31.44 70.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -71.96 -66.8 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 34' ' ' PHE . 7.8 tp -52.87 -35.61 57.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -60.78 -65.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -51.23 -57.43 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.2 mm -46.96 -60.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtt -43.3 -66.53 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.99 96.51 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 35' ' ' VAL . 10.2 tp -56.98 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.433 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 8.6 t -47.1 -47.9 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -52.47 -31.37 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -75.01 -51.72 7.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD21 ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -50.02 -38.85 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -70.33 -58.7 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.47 -24.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.403 ' N ' ' C ' ' A' ' 87' ' ' SER . 1.9 ttp -78.79 -61.37 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.5 ppp? -48.34 -27.01 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.503 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -87.52 -41.23 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -56.6 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -23.08 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 3.1 t -60.8 -64.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.475 0.178 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.14 62.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -65.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.89 -39.52 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -54.63 -52.69 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -61.58 -33.46 73.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.47 -51.33 63.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.06 -25.1 75.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -52.84 22.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -69.23 -60.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.12 -36.18 77.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.16 -50.89 25.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -41.33 81.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.43 -45.91 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' CG2' HD11 ' A' ' 63' ' ' LEU . 14.9 t -59.52 -35.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.99 -45.74 61.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.41 -55.37 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -34.13 73.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.66 84.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.89 -10.74 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -50.3 -52.99 31.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.1 p -62.99 -33.43 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.08 -64.56 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -40.24 -33.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.5 m -70.42 -60.65 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 82' ' ' LEU . . . -44.57 -44.57 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.38 -46.87 84.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' CD1' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -65.12 -68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -44.17 -37.06 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -59.04 -68.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -53.61 -60.47 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.541 HD13 ' CD1' ' A' ' 62' ' ' PHE . 73.6 mt -42.81 -54.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 2.9 mmt -48.85 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.83 -25.21 63.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -57.93 -78.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.24 -56.6 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -46.33 -31.53 2.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.77 -52.53 11.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -50.74 -42.66 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.43 4.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -28.73 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.2 ttp -68.64 -67.19 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 6.0 ptm -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' MET . 10.4 mm -80.62 -39.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -12.48 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.413 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -90.15 -52.68 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.23 -18.24 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 t -73.59 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.437 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 14.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.47 0.176 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.54 63.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.43 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.01 -41.71 83.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 17.3 t -55.42 -48.92 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -63.02 -34.03 76.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -65.34 -53.24 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.37 -26.17 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -51.07 46.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.08 -61.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.33 94.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.7 -49.06 66.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -53.14 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -53.53 -51.27 63.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 ' CG1' HG21 ' A' ' 59' ' ' THR . 2.4 t -50.89 -40.89 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -28.64 68.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -50.98 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -42.17 89.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.29 67.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 90' ' ' MET . 69.6 t -91.48 -29.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 8.3 mttt -60.19 -42.23 94.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.1 p -70.98 -31.76 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.412 ' OG ' ' CB ' ' A' ' 89' ' ' MET . 0.3 OUTLIER -58.56 -54.06 51.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.66 -60.12 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 6.9 m-85 -44.49 -39.68 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 20.7 m -69.33 -55.62 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -48.48 -43.15 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -37.64 79.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -67.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -49.22 -40.47 33.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -58.21 -51.99 67.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -57.59 -53.43 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.42 -63.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.65 -61.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.426 1.079 . . . . 0.0 110.993 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.66 -31.96 47.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -58.77 -61.72 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.66 -50.43 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -49.43 -32.1 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.43 -47.03 13.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -50.36 -44.94 54.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 1.8 m -68.91 -51.83 35.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -39.89 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.412 ' CB ' ' OG ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -71.93 -61.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.458 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 1.6 ttm -47.18 -25.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.8 mt -86.91 -46.56 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.63 -27.5 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 -47.98 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.21 -16.05 29.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -69.08 -44.49 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.461 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 37.4 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.489 0.185 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.24 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.89 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.46 -39.05 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 65.1 t -54.8 -50.73 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -61.97 -37.32 84.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.29 -55.03 36.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.83 -25.71 71.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -46.4 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.76 -62.69 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.9 94.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -45.19 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.49 -45.21 94.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 86.4 t -64.83 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.34 -40.33 80.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -65.54 -57.92 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.42 -24.38 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' VAL . . . -65.86 -53.39 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 90' ' ' MET . 18.5 t -107.31 -11.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -56.64 -50.59 71.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.9 p -63.68 -30.23 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -59.34 -60.1 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -61.55 2.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.27 -33.14 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.9 m -69.9 -55.26 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.17 -44.32 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.78 95.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -55.97 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -36.5 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.61 -61.05 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 t -62.25 -12.19 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mt -83.42 -72.23 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.7 mtm -78.93 -50.14 11.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.43 56.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.09 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' ALA . 81.6 t -66.67 -61.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -39.96 -33.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.05 -52.93 8.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.04 -43.51 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 89' ' ' MET . 1.4 t -67.52 -57.34 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.12 -25.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.408 ' CE ' ' HA ' ' A' ' 90' ' ' MET . 2.0 ttp -79.0 -63.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.465 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -45.88 -26.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.435 ' N ' ' HG3' ' A' ' 90' ' ' MET . 0.4 OUTLIER -89.49 -41.65 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.98 -25.06 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.11 -50.26 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.3 tt -51.98 -22.19 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.99 -65.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.549 0.214 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.05 66.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -65.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.84 -41.2 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.87 -46.36 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -61.06 -54.51 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.68 -28.49 71.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -49.34 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.31 -67.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -64.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.58 -58.13 13.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CD2' HD23 ' A' ' 38' ' ' LEU . 5.2 t80 -50.07 -49.89 49.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.472 ' CG2' ' CG2' ' A' ' 59' ' ' THR . 57.9 t -57.63 -31.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.14 60.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -57.52 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 59' ' ' THR . 2.6 pp -60.11 -33.24 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 35' ' ' VAL . . . -56.29 -54.53 44.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' VAL . 4.5 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.4 t -48.76 -25.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.58 -39.12 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -79.26 -27.56 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.433 ' OG ' ' CA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -64.82 -53.12 51.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.031 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -50.35 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -55.15 -29.97 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.472 ' CG2' ' CG2' ' A' ' 35' ' ' VAL . 2.8 m -75.11 -53.92 8.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -52.55 -46.25 66.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -47.82 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.51 ' CE2' HG13 ' A' ' 66' ' ' ILE . 60.8 t80 -62.54 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -41.59 -43.96 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -55.39 -49.19 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' PHE . 1.7 m -64.18 -56.9 11.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.51 HG13 ' CE2' ' A' ' 62' ' ' PHE . 4.1 mm -44.09 -55.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -57.36 13.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.69 -26.61 71.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -60.44 -74.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.64 -55.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -48.14 -30.95 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.82 -49.41 17.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.423 1.077 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CD1' ' HE3' ' A' ' 90' ' ' MET . 0.3 OUTLIER -53.33 -46.11 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 m -61.95 -58.66 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.89 -22.06 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.423 ' SD ' ' CB ' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -74.04 -64.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 86' ' ' LEU . 5.7 ptp -49.84 -34.39 19.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.415 ' N ' ' HG3' ' A' ' 90' ' ' MET . 1.0 OUTLIER -81.9 -32.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -66.18 -25.45 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -93.47 -44.94 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -13.77 39.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.67 -50.52 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -20.02 63.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -40.95 78.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.45 -49.59 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -62.85 -33.59 75.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.459 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.84 -53.03 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.85 -25.17 74.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -56.15 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.08 -56.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.58 -48.78 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.94 -60.0 7.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -47.01 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -60.23 -53.42 57.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 82' ' ' LEU . 69.0 t -55.04 -31.49 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.78 -35.3 40.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -41.36 89.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -35.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.15 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.6 t -105.06 -11.0 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -55.02 -42.46 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.2 p -70.2 -36.9 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.48 -56.71 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' PHE . 2.1 tt -72.2 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 37.1 t80 -36.91 -42.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 87.0 m -70.79 -58.38 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -42.89 -42.2 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -46.72 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.83 -65.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.13 -50.09 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -46.18 -64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -45.18 -42.9 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.63 -73.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.0 mtt -43.55 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.5 -37.56 27.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -59.31 -59.54 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.06 -49.65 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -49.56 -32.62 12.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.2 -52.2 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -37.52 33.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -53.42 16.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.33 -24.08 41.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -75.97 -68.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 1.4 ptm -49.97 -24.66 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 90' ' ' MET . 0.1 OUTLIER -88.25 -35.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -25.55 67.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -46.14 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.2 -16.68 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.15 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.7 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.476 0.179 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.81 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.61 -41.09 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.93 -52.8 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -61.73 -34.65 76.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.88 -55.44 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.18 -24.78 73.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.59 46.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.88 -53.43 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.79 -55.31 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.74 93.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.22 -41.9 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.1 -47.4 86.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.63 -37.19 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.27 -34.05 61.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -51.11 56.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -63.16 -34.05 76.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.79 -58.06 10.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 90' ' ' MET . 19.3 t -93.41 -15.35 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 2.1 mmtt -57.84 -48.81 78.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.6 p -65.51 -33.2 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -60.24 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -63.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 7.7 m-85 -40.88 -36.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.2 m -67.1 -58.81 4.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.98 -43.25 29.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -41.87 95.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.48 -65.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.97 -42.52 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.71 80.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -9.51 58.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 mm -89.87 -70.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -44.08 62.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.0 -24.86 52.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.37 -83.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -45.02 77.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -54.96 -30.54 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.71 -47.65 19.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.7 -42.73 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.2 m -68.06 -53.76 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -24.13 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.49 -62.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.454 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -56.19 -21.15 21.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 16.9 mt -86.22 -40.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.408 ' C ' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -64.62 -27.76 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.463 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.3 -48.87 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -15.43 58.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.3 t -75.3 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.461 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 23.7 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.513 0.197 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.67 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -63.68 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.84 -43.22 76.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 24.9 t -53.92 -48.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -61.89 -36.74 82.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -64.12 -52.65 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.74 -27.37 71.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -50.39 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.5 mm -67.24 -66.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.06 -56.76 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.44 -39.84 97.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -61.45 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.28 -52.14 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 59' ' ' THR . 55.3 t -52.96 -39.14 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.52 -29.13 66.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.76 30.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -36.27 78.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.13 -44.11 87.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 90' ' ' MET . 27.1 t -88.64 -25.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.5 p -72.41 -37.07 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -59.73 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.55 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 93.4 t80 -37.37 -38.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 20.0 m -70.57 -60.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -41.18 -42.74 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.81 -42.69 73.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -63.51 -63.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.36 -40.81 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -53.44 -54.17 40.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' ILE . 1.3 m -62.64 -59.76 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' THR . 8.9 mm -39.96 -50.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.29 -13.78 60.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -65.45 -38.39 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -60.26 -30.57 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.06 -47.53 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -37.04 68.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -71.94 -51.15 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -56.5 -24.01 43.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -70.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.435 ' CB ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -48.95 -24.57 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -87.44 -42.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -55.8 -30.07 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.6 -44.5 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.37 -15.23 63.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 3.3 t -75.82 -67.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.481 0.181 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.62 77.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.5 -64.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -53.09 -39.67 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -56.61 -47.48 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -62.78 -36.31 82.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.67 -54.27 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.38 -27.69 71.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -47.36 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -69.25 -68.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -61.1 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.85 -60.0 9.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.31 -57.16 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -48.88 -52.73 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.12 -31.57 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.67 -32.63 59.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.94 67.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -68.39 -32.49 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.89 -55.52 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.37 -11.18 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 15.2 tttt -67.36 -44.9 77.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 59' ' ' THR . 1.4 p -74.62 -34.93 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -56.06 -57.49 11.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 2.3 tm? -68.56 -61.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 7.2 t80 -40.26 -39.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 21.2 m -69.54 -58.5 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -45.72 -42.03 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -39.46 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -38.89 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -59.68 -65.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -55.37 -19.56 9.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mt -77.57 -73.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -60.3 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.64 -25.84 70.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -79.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -51.33 -42.81 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -56.91 -30.98 64.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.59 -47.22 16.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -53.56 -45.87 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.4 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 1.5 m -64.26 -55.89 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.052 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.36 -23.73 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -68.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.3 ptp -49.28 -25.6 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 14.1 mt -80.8 -46.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -29.57 62.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -83.33 -52.15 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -17.55 62.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 3.8 t -72.94 -73.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.407 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 17.3 t80 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.69 -31.34 66.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.39 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -56.48 -42.78 78.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 3.7 t -52.69 -52.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 m -60.95 -33.66 73.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -55.97 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.41 -26.37 70.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.59 59.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.36 -44.5 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.82 -54.03 49.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.34 -59.34 10.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -44.68 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.98 -56.44 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.471 ' CG2' HG23 ' A' ' 59' ' ' THR . 3.6 t -48.52 -40.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.25 -35.34 76.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -52.88 63.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -30.29 71.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.79 -52.1 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER 77.09 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.462 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mttp -42.79 -43.16 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -77.35 -35.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 t -54.43 -51.76 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -57.8 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 54' ' ' LYS . 3.2 m-85 -43.52 -37.15 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.471 HG23 ' CG2' ' A' ' 35' ' ' VAL . 61.8 m -74.99 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -41.75 -44.85 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -43.81 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.66 -64.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.0 -43.28 69.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -52.49 -56.52 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -57.67 -60.41 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.1 mm -40.44 -56.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.84 -61.05 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.63 -36.12 75.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -57.88 -71.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.2 t -52.71 -55.15 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.23 -31.53 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.78 29.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.24 -44.36 75.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -66.77 -55.67 13.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.13 -24.68 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 null -74.73 -61.31 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -58.52 -19.03 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -87.01 -45.88 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.405 ' N ' HG22 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -70.21 -15.0 62.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -41.3 8.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 tt -77.28 -1.17 28.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.1 t -66.12 -46.8 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.423 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 1.8 t80 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.553 0.216 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.48 63.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -57.67 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -57.28 -41.83 80.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 18.9 t -55.23 -50.77 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 m -62.78 -31.5 72.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -66.73 -50.96 61.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.29 -25.04 75.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -53.5 12.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -66.41 -61.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.24 82.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.3 -54.44 13.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -52.95 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.73 -48.46 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.54 -38.72 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.68 -34.23 59.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -52.67 58.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -33.53 76.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.8 95.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' CA ' HG11 ' A' ' 55' ' ' VAL . 5.1 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -39.63 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -61.18 -38.27 85.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.6 p -76.32 -32.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -56.68 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 1.8 tm? -68.65 -58.47 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -44.76 -33.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 7.2 m -74.07 -59.61 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -40.45 -44.65 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -58.76 -63.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -50.41 -43.94 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 m -70.89 -50.8 31.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.8 mm -45.63 -53.36 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -50.8 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 110.976 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.45 63.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.422 HD21 ' N ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -58.96 -59.66 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 85' ' ' GLY . 79.7 t -70.15 -65.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -42.27 -30.7 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . -73.02 -53.44 7.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.4 -42.71 32.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -54.16 28.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -24.23 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.59 -68.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -47.65 -22.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 23.2 mt -86.93 -48.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -54.36 -25.2 22.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.422 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -95.53 -44.62 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -18.8 48.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 60.5 t -72.46 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.0 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.73 62.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.46 -42.17 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.87 -52.62 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.9 m -61.76 -35.1 77.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.0 -52.27 64.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.8 -24.13 76.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -49.99 39.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -69.43 -57.14 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.46 87.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.53 -56.54 16.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.43 -53.28 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.55 -56.9 13.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.53 -35.19 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -37.2 64.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.45 -33.78 71.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -55.01 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 90' ' ' MET . 5.3 t -91.61 -12.97 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.24 -46.74 85.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.0 p -71.41 -35.45 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -59.01 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 1.9 tm? -68.29 -64.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 57' ' ' LEU . 28.2 t80 -36.94 -43.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 51.6 m -67.63 -57.82 5.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 82' ' ' LEU . . . -45.44 -41.18 9.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.31 -33.76 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -65.59 -50.52 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -42.19 91.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 82' ' ' LEU . . . -56.39 -44.64 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.69 -33.32 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mt -61.74 -60.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.3 mtt -66.82 -59.41 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.89 -38.35 84.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 60' ' ' ALA . 1.2 tp -52.35 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -44.98 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -51.46 -33.43 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.58 -43.21 19.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' CD2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -52.3 -44.69 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 89' ' ' MET . 9.6 t -70.48 -58.22 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -47.95 -24.35 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.471 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.4 ttp -80.3 -54.61 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -58.16 -19.24 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.459 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.8 OUTLIER -92.09 -39.91 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 89' ' ' MET . 0.9 OUTLIER -72.96 -13.74 61.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -46.35 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' MET . 2.5 tp -60.49 -15.97 32.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.9 t -66.7 -38.67 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.561 0.22 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -47.58 145.12 2.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.5 -63.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -41.77 -90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.453 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 71.08 -70.58 0.78 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.91 -56.71 18.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.74 -49.88 2.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -54.66 -51.63 64.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.08 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 -64.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.28 -40.35 70.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 t -53.07 -52.36 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 m -60.99 -36.94 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.72 -54.97 38.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.12 -25.59 72.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -52.58 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.03 -55.73 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.41 -49.2 13.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.67 -72.14 0.65 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -41.87 133.37 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -53.56 150.86 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -76.26 155.5 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -52.54 38.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -156.29 24.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.08 -57.41 0.59 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -49.91 -51.45 60.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.97 179.05 6.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.423 ' CA ' ' HA3' ' A' ' 81' ' ' GLY . 0.3 OUTLIER -118.73 -55.39 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -47.27 -51.65 18.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 29' ' ' LEU . 2.6 mp -56.23 -38.01 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.76 73.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.97 -56.11 9.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -41.9 68.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.35 -58.4 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 t -49.67 -37.78 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.58 61.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -41.63 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.2 -41.3 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.99 67.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -80.05 -68.35 1.49 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -37.8 -31.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 44' ' ' TYR . . . -85.93 -57.38 2.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . . . -39.95 -29.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.439 ' N ' ' C ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -36.47 -53.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.67 6.52 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.489 ' CG1' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -50.76 -22.13 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -38.8 138.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 170.17 -60.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -99.15 -10.38 22.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.01 44.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -178.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -153.17 -84.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.43 -10.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.8 mttt -54.15 -42.42 69.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.1 p -68.33 -38.9 80.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' PHE . 7.0 tp -62.3 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 85.8 t80 -37.0 -41.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 18.6 m -68.36 -58.21 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -46.22 -40.56 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -38.01 71.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.417 ' O ' ' CG2' ' A' ' 65' ' ' THR . 0.9 OUTLIER -65.1 -59.36 4.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -35.76 77.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -58.19 -52.34 65.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 62' ' ' PHE . 8.9 t -66.61 -27.17 67.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.61 -65.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.86 44.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 64' ' ' ALA . 3.1 t -72.0 -33.64 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 164.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -38.17 116.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.16 -176.36 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -79.81 120.72 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.58 160.13 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -107.36 47.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.38 57.34 5.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mt -119.49 -70.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.472 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.23 -52.28 49.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 18.1 Cg_endo -75.06 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 82.08 -54.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.423 ' HA3' ' CA ' ' A' ' 28' ' ' SER . . . -60.24 -35.94 89.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.53 -74.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -53.3 -56.43 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -44.54 -32.86 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.8 -48.6 21.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -42.31 59.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -67.66 -53.71 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -22.34 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.26 -68.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -47.71 -25.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 90' ' ' MET . 2.1 tt -86.53 -44.28 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -21.3 56.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -45.0 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -18.06 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.27 -60.26 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 1.4 pt? -83.88 -43.45 15.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 96' ' ' LEU . 4.3 tt 35.62 46.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 96' ' ' LEU . 2.0 pp -125.71 -44.58 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 98' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.513 0.197 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -147.12 157.11 43.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -64.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -41.1 -87.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.29 -47.15 3.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.44 -64.38 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.82 -51.86 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -56.5 -50.58 71.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.55 67.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.67 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.52 -40.15 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -55.11 -51.34 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -61.48 -34.24 75.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.29 -56.94 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.25 -27.55 69.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.52 68.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.26 -67.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -38.61 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.63 -56.57 5.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.71 162.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -53.48 121.09 7.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -101.61 169.02 9.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -59.88 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.38 146.88 6.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.137 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' HA2' ' CB ' ' A' ' 77' ' ' ILE . . . 89.28 93.88 1.11 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -61.61 -51.7 74.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.312 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 54.64 3.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 31' ' ' ALA . 16.9 p -120.38 -58.33 1.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.959 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.76 -47.24 20.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.488 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -62.64 -33.05 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' SER . . . -65.74 -66.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.457 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -51.86 -45.83 55.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -53.29 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.23 -41.83 72.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 82' ' ' LEU . 69.0 t -61.68 -37.75 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.24 -29.66 64.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -49.38 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -68.14 -28.42 67.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.35 -56.35 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.86 -65.81 2.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -52.59 -37.58 58.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.04 -77.1 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.127 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . . . -42.09 -63.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 5.4 t80 68.27 -62.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -123.59 3.34 8.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 2.9 t -80.54 -0.68 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 40.6 t -102.25 143.92 31.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 47' ' ' SER . 37.2 t30 74.96 -64.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -71.9 -9.05 57.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -159.27 175.63 13.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -64.05 147.65 51.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 4.4 t70 -120.75 -46.93 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.7 t -54.95 -19.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 31.4 tttt -67.91 -39.94 83.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 52' ' ' ASP . 11.0 p -78.41 -27.09 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.422 ' N ' HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -64.61 -52.72 56.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tt -73.17 -55.93 5.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.6 t80 -44.43 -41.48 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.444 ' CG2' HG13 ' A' ' 35' ' ' VAL . 54.9 m -71.5 -55.54 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -45.57 -41.62 10.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -43.14 68.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.09 -61.45 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.13 -39.16 78.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -55.02 -45.61 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -69.41 -32.73 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 mm -64.81 -64.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -46.07 92.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 70' ' ' ARG . . . 115.87 30.41 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 79' ' ' PRO . 1.6 t -40.66 -30.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -45.31 149.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' ARG . 61.7 t80 -37.74 -55.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 70.92 -79.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.07 -59.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.04 -179.92 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.74 60.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.43 49.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.406 ' CB ' ' HA2' ' A' ' 25' ' ' GLY . 21.6 pt -112.0 -16.47 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.525 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -77.79 -49.06 2.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.95 -166.42 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 79' ' ' PRO . . . 84.69 -50.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 28' ' ' SER . . . -67.16 -30.52 75.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.41 -74.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -53.94 -49.76 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.44 -33.78 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -74.38 -49.82 11.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -47.03 -44.77 20.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -51.09 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -28.3 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -77.3 -63.26 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.3 ttm -42.4 -35.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -46.37 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -25.44 4.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -47.47 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -11.58 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.32 -37.49 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -94.15 -20.53 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 97' ' ' LEU . 4.1 tt 37.9 39.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -92.04 -27.61 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' N ' ' CG2' ' A' ' 4' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.544 0.211 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -162.55 -54.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.49 -52.23 11.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -44.68 -91.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 73.08 -66.3 1.5 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -55.47 -58.29 8.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.26 -53.49 2.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -52.86 -48.43 67.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.83 -27.63 66.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.38 -64.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.23 -40.02 70.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.46 -49.21 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -62.09 -36.47 81.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -62.5 -56.89 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.53 -27.64 69.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -48.93 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.52 -50.77 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.52 -58.45 4.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER 54.4 103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' TYR . 3.1 tttt -40.55 155.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 101.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -78.52 -56.4 4.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.118 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.84 55.5 0.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.22 92.04 1.53 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -67.31 -51.88 31.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.417 0.716 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -74.99 56.96 4.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' ALA . 1.3 t -119.07 -69.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.94 -60.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.6 tp -47.56 -39.94 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 28' ' ' SER . . . -57.3 -51.33 69.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.53 -58.67 12.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -46.15 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.5 -58.79 6.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.1 t -46.57 -38.05 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.55 -34.49 56.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -40.57 95.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.63 -44.95 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' ' SD ' ' A' ' 89' ' ' MET . . . -54.3 -44.06 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.49 -64.34 2.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -45.37 -24.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.48 ' O ' ' CG1' ' A' ' 46' ' ' VAL . . . -89.36 -41.44 5.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' TYR . . . -73.53 -5.85 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -36.63 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.58 1.71 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -90.12 -14.53 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 47.1 t -78.35 141.05 38.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 47' ' ' SER . 5.1 m-20 158.21 -67.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.3 10.26 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -91.08 -171.7 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.35 163.66 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -129.65 -68.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 77.7 t -96.15 -11.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -64.89 -36.04 83.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.441 ' O ' ' CB ' ' A' ' 59' ' ' THR . 11.4 p -73.28 -38.29 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -57.8 -60.01 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.66 -62.02 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 54.0 t80 -43.08 -35.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.0 m -69.14 -56.88 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 86' ' ' LEU . . . -52.22 -41.44 62.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -46.44 87.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.43 -43.75 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.17 -64.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 m -44.21 -29.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mm -78.97 -79.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -64.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.61 44.58 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 79' ' ' PRO . 18.8 t -66.34 -30.65 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.2 167.44 19.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -38.45 112.07 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -117.96 -57.7 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -59.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.56 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -77.46 60.05 2.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.237 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -82.39 52.79 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.9 -30.7 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.491 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER -46.97 -50.93 43.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.1 Cg_endo -75.1 55.54 4.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.802 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -86.04 -42.09 14.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.92 65.26 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -58.46 -73.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.56 -53.52 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.81 -31.91 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.48 -52.45 7.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -45.5 -45.22 13.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 90' ' ' MET . 18.9 m -67.76 -58.99 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.427 ' C ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -45.04 -25.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.462 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.4 ttp -80.54 -52.62 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -55.27 -21.65 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -91.43 -44.94 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -64.4 -15.91 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 -50.35 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.7 -18.4 53.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.3 t -54.44 -50.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -94.63 -40.15 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.04 33.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -99.02 -31.51 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.531 0.205 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.27 -178.24 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -51.08 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 tt -40.58 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.2 -49.69 4.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -57.47 -60.17 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.2 -47.3 42.36 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.98 -44.28 91.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.83 64.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.24 -63.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.94 -42.7 80.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 t -53.7 -48.96 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m -61.73 -37.56 84.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -62.64 -54.87 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -27.52 70.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -46.97 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.67 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.07 -47.39 65.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.08 57.82 2.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 49.77 92.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -54.63 110.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -179.48 48.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ARG . 2.2 ttm180 -59.63 -150.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.06 106.25 2.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.94 -72.2 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -68.84 -51.77 19.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.02 120.74 6.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 79' ' ' PRO . 2.6 m -88.43 -20.38 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.02 -50.26 15.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 tp -61.38 -32.2 52.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' SER . . . -59.94 -51.21 70.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.85 -55.54 29.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.46 -45.31 25.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.58 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -50.44 -39.13 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.53 -37.76 58.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -52.1 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.21 -32.25 73.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.01 91.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.85 -61.88 3.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -45.03 -35.89 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.51 -31.89 23.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -21.16 65.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.98 -29.91 69.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.24 3.32 38.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 2.4 t -78.29 0.11 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 3.7 t -39.0 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 47' ' ' SER . 3.7 t30 80.44 -71.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -160.12 -66.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 49.52 -162.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -174.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -147.55 -73.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 t -106.42 -10.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -56.59 -46.57 80.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 12.2 p -64.74 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -60.34 -66.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 17.0 t80 -35.94 -36.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 4.0 m -69.68 -62.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -44.37 -43.64 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CD1' HD23 ' A' ' 57' ' ' LEU . 1.3 m-85 -62.75 -48.6 78.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -67.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -43.46 -38.81 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -59.89 -61.17 2.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.5 m -54.75 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -43.34 -53.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 46.3 mtp -45.72 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.85 53.9 5.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.3 t -40.12 -56.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -151.06 -60.04 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 0.1 OUTLIER -56.94 -58.47 8.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 80.17 -62.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.33 47.61 1.5 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 71' ' ' PHE . 46.8 t -165.2 75.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 56.39 3.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -115.73 -65.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.4 mt -92.99 -40.15 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -45.25 -52.03 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.01 -89.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 70.74 -60.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.58 53.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 7.5 tp -58.86 -64.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.15 -56.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.48 -31.02 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.47 -46.3 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 87' ' ' SER . 0.3 OUTLIER -55.49 -42.72 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.415 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 15.2 t -64.69 -58.03 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.01 -30.1 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -68.38 -68.06 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -53.22 -19.41 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.462 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 70.1 mt -87.7 -32.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -21.36 56.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -48.8 6.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.19 -17.73 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.8 t -49.0 -54.31 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -106.17 -32.21 8.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.83 32.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' LEU . 22.6 mt -82.26 -44.15 16.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.45 0.167 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.19 -60.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.81 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.416 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -40.5 -89.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.416 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 70.56 -66.6 0.78 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -55.07 -57.3 12.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.05 -46.2 20.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.79 -47.03 83.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.07 -23.72 61.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -59.72 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.7 -42.07 92.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t -53.08 -52.9 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -62.35 -32.85 73.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.32 -54.32 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.31 -23.61 76.3 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -51.89 44.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -65.69 -50.3 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.78 -42.07 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.12 -90.01 1.99 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' OH ' ' N ' ' A' ' 23' ' ' ARG . 9.2 t80 -47.01 109.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -59.18 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -169.3 148.26 3.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -74.7 -153.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.66 56.1 4.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.91 88.71 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -71.24 -51.62 9.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 61.2 5.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ALA . 3.9 m -117.23 -51.46 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.91 -47.16 32.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 tp -63.62 -27.93 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' SER . . . -67.1 -43.42 82.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.73 -54.65 24.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -43.07 63.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.5 -50.68 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 16.2 t -57.83 -36.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.93 -38.95 75.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -56.49 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 35' ' ' VAL . 3.5 pp -60.23 -29.34 68.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.79 -60.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.6 -64.69 3.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -50.99 -34.26 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.81 -76.8 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . . . -43.93 -63.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 5.8 t80 68.18 -62.52 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -124.24 3.88 8.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 43' ' ' ALA . 43.6 t -81.99 -4.05 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 93' ' ' ARG . 36.6 t -82.21 139.78 34.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.046 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 47' ' ' SER . 56.7 t30 75.03 -59.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -67.56 -10.34 50.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -155.87 -165.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.84 139.49 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.247 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -118.19 -59.0 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.58 -12.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.52 -44.67 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.2 p -69.67 -38.58 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 t -52.59 -58.42 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -69.53 -64.1 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 18.9 t80 -37.08 -37.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 33.7 m -73.8 -60.95 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' A' ' 82' ' ' LEU . . . -41.34 -45.21 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CD2' ' HE3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -68.77 -44.96 72.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.21 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -45.85 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.54 -53.0 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -56.53 -54.13 49.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.3 mm -48.6 -63.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.5 mmt -42.4 -67.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 50.86 39.73 40.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' GLY . 65.2 t -39.75 -61.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.87 87.79 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.15 93.92 9.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 -64.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.4 ttm-85 -160.37 86.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 p -171.41 151.66 3.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -99.54 -81.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HE3' ' CD2' ' A' ' 61' ' ' PHE . 1.9 mttm -120.09 50.11 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.86 -53.53 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.476 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -51.96 -52.39 62.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 62.0 5.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.45 -51.14 69.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.14 83.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -47.44 -68.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.7 m -54.32 -42.9 59.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.21 -32.74 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.96 -45.01 10.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -51.74 -43.06 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -72.49 -56.25 5.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -31.01 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 ttp -76.01 -65.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -40.26 -33.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.5 mt -85.39 -45.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -20.1 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 47' ' ' SER . 0.0 OUTLIER -100.16 -44.17 6.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.09 -18.32 24.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.78 -60.22 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -75.95 -40.78 53.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.511 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER 33.04 39.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.4 pp -124.38 -58.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.507 0.194 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -145.0 117.36 8.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -87.45 -63.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.418 HG12 ' N ' ' A' ' 5' ' ' GLY . 1.5 tt -40.93 -87.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 4' ' ' ILE . . . 50.71 27.55 13.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -119.86 -54.9 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.0 -52.99 49.06 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.54 -43.09 93.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -23.36 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -65.12 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.39 -42.25 73.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -54.85 -47.52 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -62.16 -37.23 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.61 -54.76 30.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.43 -28.46 71.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -48.86 65.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.2 mm -69.27 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.85 -48.29 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 57.4 57.57 19.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' GLY . 59.4 t80 56.93 113.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -50.74 123.74 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 59.51 113.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -59.3 5.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.41 -156.74 26.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.51 -40.97 2.25 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -62.61 -51.9 69.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 159.63 41.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 2.3 p -105.05 -31.29 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.79 -54.8 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -55.78 -28.21 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' ILE . . . -66.45 -51.84 52.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.469 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -59.05 -59.79 10.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.29 -54.45 8.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD1' HD21 ' A' ' 38' ' ' LEU . 58.2 t80 -47.8 -53.68 14.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG2' HD23 ' A' ' 82' ' ' LEU . 90.0 t -55.35 -33.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.54 72.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -53.4 37.38 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.501 HD21 ' CD1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -63.29 -26.63 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.81 -58.82 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.59 -63.71 3.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -48.52 -43.94 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -65.92 2.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.483 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . -39.98 -66.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.527 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER 35.99 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER 86.67 -14.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.483 ' HB ' ' CA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -39.52 -30.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' ARG . 44.2 t -39.64 137.94 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.957 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 168.56 -70.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.08 2.96 25.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.62 29.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.15 110.99 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.48 -54.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.77 -10.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 8.8 mttp -59.97 -48.88 79.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 8.1 p -73.25 -34.53 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -52.78 -57.41 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.58 -62.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.1 t80 -37.05 -41.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 87.1 m -72.8 -59.69 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -40.97 -43.15 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.589 ' CE2' ' NH2' ' A' ' 73' ' ' ARG . 2.4 m-85 -70.78 -44.7 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.48 -63.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.3 -43.95 71.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -48.63 -53.96 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -56.55 -51.28 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.99 -64.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 70' ' ' ARG . . . 59.8 54.79 34.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -40.37 -29.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 68' ' ' GLY . 0.1 OUTLIER -130.02 166.15 20.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -38.93 -63.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.47 150.26 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.589 ' NH2' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -63.29 -49.87 72.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.1 t 68.33 -66.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 80.04 41.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -115.64 -79.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.2 tt -110.18 -22.39 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -44.78 -52.22 19.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -87.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 71.4 -60.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.413 ' CA ' ' OG ' ' A' ' 28' ' ' SER . . . -74.76 -40.75 36.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -59.51 -62.07 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.4 -54.47 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -50.54 -29.75 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -70.9 -51.04 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -53.19 -43.6 67.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' MET . 0.3 OUTLIER -61.53 -59.11 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -30.64 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.3 ttp -66.14 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' SER . 16.8 ptm -47.78 -31.09 4.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 19.3 mt -79.08 -32.32 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -72.84 -22.42 60.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -46.4 8.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -15.34 59.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.7 t -74.48 -65.97 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -59.67 -30.73 68.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' LEU . 4.3 tt 39.2 54.62 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER 38.36 44.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 3' ' ' LEU . 4.1 ptp . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.511 0.196 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 61.01 -81.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -39.79 -50.81 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.446 HG22 ' CA ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -39.9 -89.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.45 -70.65 1.08 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' ALA . 2.4 t80 -50.84 -53.8 29.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.63 -40.73 41.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -61.06 -56.24 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.34 64.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -65.42 -62.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.92 -42.24 89.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 t -54.37 -50.31 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -62.29 -34.33 76.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.62 -51.66 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.83 -25.76 74.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -51.42 28.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.22 -63.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 21' ' ' LYS . 2.3 t80 -49.39 -46.51 47.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 51.49 56.69 14.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 41.38 93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -54.39 170.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.52 135.33 37.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -71.73 -152.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.9 -143.7 4.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.58 -76.75 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -66.17 -51.65 43.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.571 0.807 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.04 127.84 10.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 m -103.55 -33.35 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -52.67 48.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -60.46 -24.88 32.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.54 -57.37 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.96 -44.52 98.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -58.38 6.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -55.86 -39.91 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.22 -34.2 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.14 -42.54 50.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -49.15 78.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.92 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.99 -59.07 4.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -48.17 -31.74 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -87.56 -36.36 8.73 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . . . -56.54 -34.31 66.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.14 -24.29 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.94 -13.47 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -73.42 -17.56 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 43.9 t -38.62 140.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' SER . 16.6 t-20 82.08 -54.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -74.33 -11.29 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 179.45 132.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' CG ' ' H ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -40.6 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' H ' ' CG ' ' A' ' 51' ' ' ARG . 16.1 t0 170.67 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -89.21 -15.67 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.9 tttt -59.7 -46.15 89.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.9 p -70.73 -36.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -56.71 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -74.1 -63.32 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 9.0 t80 -36.4 -38.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 96.7 m -75.77 -60.89 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' THR . . . -40.43 -46.19 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -43.51 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -57.13 -63.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -48.73 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.92 -42.24 26.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -73.21 -39.87 65.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.01 -59.21 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 ttp -69.07 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.33 42.95 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.6 t -74.46 -58.02 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.572 0.807 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.26 97.56 8.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -162.19 -53.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.12 97.81 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -40.65 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.58 103.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.84 56.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.21 52.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.5 mt -116.35 -40.33 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -48.71 -51.85 50.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.95 54.73 3.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -81.89 -44.15 17.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.45 -19.19 59.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.44 HD23 ' CG2' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -59.3 -79.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.44 ' CG2' HD23 ' A' ' 82' ' ' LEU . 49.1 t -64.66 -48.96 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -52.3 -30.74 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -51.54 9.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -44.31 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -66.19 -54.0 30.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -20.83 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -67.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -50.67 -22.11 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 1.2 tp -90.03 -42.27 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -30.01 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -94.23 -50.42 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 90' ' ' MET . 3.5 tp -55.22 -19.86 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 3.7 t -72.63 -76.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -40.56 -32.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' LEU . 4.3 tt 39.13 52.52 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 38.1 44.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.479 0.181 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 45.32 91.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.52 -56.49 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.81 -85.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.32 -57.62 4.66 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.51 -61.61 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.0 -48.9 2.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -56.6 -45.7 81.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.32 -26.58 60.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.21 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.83 -43.36 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.91 -49.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -63.88 -32.34 73.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -65.18 -52.47 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.75 77.18 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -53.82 20.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.78 -57.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.15 -35.05 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.55 -62.69 4.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -43.95 105.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -54.57 124.41 16.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -132.29 49.88 2.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -93.46 -64.61 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.04 49.58 6.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.47 48.37 44.7 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -75.93 -52.09 2.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.0 -170.58 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -105.51 -35.13 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -54.82 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 tp -55.3 -33.25 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.4 58.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.52 -49.23 70.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -42.44 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.22 -49.89 75.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 59' ' ' THR . 99.3 t -54.73 -38.97 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.87 -37.59 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -54.54 45.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 59' ' ' THR . 4.6 pp -62.67 -34.83 77.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.18 -42.12 80.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.8 -59.63 5.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -45.83 -32.98 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.07 -32.62 12.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . . . -63.82 -24.19 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 0.721 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -61.19 -27.92 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -105.95 3.13 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 2.8 t -76.53 -0.45 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.0 t -38.95 158.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 47' ' ' SER . 2.1 t30 77.76 -72.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -159.46 -67.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 49.27 -162.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -70.84 156.05 40.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -112.8 -88.09 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.5 t -98.35 -10.87 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -49.57 -46.71 49.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.6 p -67.87 -37.56 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.62 -64.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -62.93 -64.44 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 64.8 t80 -36.35 -43.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 20.9 m -66.55 -58.49 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -45.89 -41.03 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -61.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.8 OUTLIER -57.03 -40.67 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -56.35 -56.36 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.7 m -56.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.0 mt -40.3 -53.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 3.1 mmt -48.57 -68.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.13 44.52 83.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -43.82 -48.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.59 159.91 33.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.44 102.14 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 156.65 31.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -41.93 -54.83 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.23 139.79 24.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -86.26 59.36 5.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -7.59 11.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.42 -50.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.479 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -47.88 -52.66 37.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 55.52 4.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -56.42 -52.57 64.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.45 -52.58 25.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -45.42 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.1 t -47.22 -55.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -41.89 -34.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.22 14.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -54.52 -37.76 65.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 t -72.48 -56.04 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -31.2 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.1 ttp -76.38 -54.06 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.06 -30.68 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 5.3 tt -85.91 -40.76 14.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -62.14 -18.5 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.38 -47.03 5.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.45 -14.54 57.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 4.1 t -72.94 -64.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -46.6 -31.66 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER 37.33 38.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.94 38.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.516 0.198 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.39 -57.62 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -59.95 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.422 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -41.69 -88.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 71.71 -69.9 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -71.49 -52.04 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.61 -42.77 3.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -56.52 -59.33 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 -21.7 63.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.8 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.98 -39.91 69.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.31 -48.76 76.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -62.52 -37.15 84.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.28 -53.75 50.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -25.89 72.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -52.23 46.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.3 -63.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -42.2 -51.55 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.618 ' C ' ' CD1' ' A' ' 20' ' ' TYR . . . 51.08 48.02 47.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.118 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.627 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 36.4 p90 34.72 91.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -53.39 165.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.59 76.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.06 -172.16 48.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.82 90.5 0.23 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -56.16 -51.65 79.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.98 55.29 3.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -119.78 -40.09 2.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.07 -63.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -41.2 -37.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 30' ' ' ILE . . . -62.57 -57.94 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.22 -53.76 40.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.127 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.0 -63.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CG ' HD11 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -44.78 -58.37 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 82' ' ' LEU . 35.3 t -44.34 -40.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.21 -45.94 83.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -42.09 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.69 -39.94 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.96 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.69 -61.19 4.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -42.63 -37.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.86 -38.85 9.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.34 -18.23 57.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -86.52 -29.12 22.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -80.51 0.58 33.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -60.77 -15.3 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.74 11.18 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -147.96 -62.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -75.54 -21.28 58.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.1 tttt 49.8 31.39 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.12 174.91 1.01 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.93 -78.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -104.12 -10.77 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -47.81 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.2 p -64.01 -30.13 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -57.64 11.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.23 -57.81 10.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -50.84 -29.8 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.4 m -71.01 -52.58 18.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -56.68 -45.27 81.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.36 -31.44 70.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -71.96 -66.8 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 34' ' ' PHE . 7.8 tp -52.87 -35.61 57.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -60.78 -65.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -51.23 -57.43 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.2 mm -46.96 -60.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtt -43.3 -66.53 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 60.68 16.1 43.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 78' ' ' MET . 63.1 t -40.37 -63.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -159.38 107.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -84.4 81.26 8.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.94 -77.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -173.86 116.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 t -107.48 169.14 8.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.77 46.64 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.77 58.1 5.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.0 -84.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.512 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -65.39 -50.55 57.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.97 -161.4 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 85.95 -56.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.99 96.51 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 35' ' ' VAL . 10.2 tp -56.98 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.433 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 8.6 t -47.1 -47.9 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -52.47 -31.37 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -75.01 -51.72 7.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD21 ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -50.02 -38.85 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -70.33 -58.7 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.47 -24.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.403 ' N ' ' C ' ' A' ' 87' ' ' SER . 1.9 ttp -78.79 -61.37 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.5 ppp? -48.34 -27.01 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.503 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -87.52 -41.23 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -56.6 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -23.08 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 3.1 t -60.8 -64.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -47.49 -31.26 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LEU . 3.0 tt 39.34 53.21 2.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER 38.03 43.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.535 0.207 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -158.75 149.28 19.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -62.12 1.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.406 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -44.32 -89.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 72.65 -59.53 1.65 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -60.65 -58.85 6.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.76 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.41 -49.86 31.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -52.81 -56.57 14.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.14 62.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -65.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.89 -39.52 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -54.63 -52.69 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -61.58 -33.46 73.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.47 -51.33 63.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.06 -25.1 75.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -52.84 22.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -69.23 -60.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -51.04 -39.86 56.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.48 -80.91 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 43.35 50.13 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 0.725 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -45.42 130.94 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -179.31 67.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -158.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.21 153.04 23.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.55 46.9 7.66 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -73.91 -51.57 4.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.95 -169.96 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 8.9 m -115.51 -55.38 2.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -43.98 -64.0 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 29' ' ' LEU . 4.3 mp -49.13 -30.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 28' ' ' SER . . . -69.12 -36.18 77.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -70.16 -50.89 25.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -41.33 81.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.43 -45.91 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' CG2' HD11 ' A' ' 63' ' ' LEU . 14.9 t -59.52 -35.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.99 -45.74 61.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.41 -55.37 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -34.13 73.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.66 84.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.94 -62.13 4.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -43.86 -39.85 4.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -79.66 -33.84 33.16 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . . . -57.15 -36.83 71.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CZ ' HD13 ' A' ' 96' ' ' LEU . 1.4 m-85 -56.7 -29.53 62.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 -20.24 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -68.42 -13.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' VAL . 44.4 t -37.9 137.28 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 47' ' ' SER . 1.1 m-20 163.62 -70.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -74.77 -12.29 60.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 6.2 tptt 86.25 29.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.1 mtp180 -66.58 142.98 57.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.52 -66.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.89 -10.74 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -50.3 -52.99 31.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.1 p -62.99 -33.43 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.08 -64.56 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -40.24 -33.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.5 m -70.42 -60.65 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 82' ' ' LEU . . . -44.57 -44.57 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.38 -46.87 84.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' CD1' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -65.12 -68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -44.17 -37.06 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -59.04 -68.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -53.61 -60.47 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.541 HD13 ' CD1' ' A' ' 62' ' ' PHE . 73.6 mt -42.81 -54.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 2.9 mmt -48.85 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 48.37 42.65 26.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' GLY . 88.7 t -40.42 -57.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.61 -59.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.52 -48.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.22 79.98 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.99 -45.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.8 p -136.8 146.41 45.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.52 52.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -72.38 60.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.85 -51.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.504 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.07 -53.87 53.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 55.18 3.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -73.81 -48.82 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.83 -25.21 63.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -57.93 -78.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.24 -56.6 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -46.33 -31.53 2.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.77 -52.53 11.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -50.74 -42.66 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.43 4.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -28.73 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.2 ttp -68.64 -67.19 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 6.0 ptm -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' MET . 10.4 mm -80.62 -39.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -12.48 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.413 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -90.15 -52.68 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.23 -18.24 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 t -73.59 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.5 HD13 ' CZ ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -46.66 -30.92 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.3 OUTLIER 37.24 38.86 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.38 34.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.271 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.465 0.174 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.24 125.37 29.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -68.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.433 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -42.4 -90.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.433 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 85.6 -44.43 3.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -57.98 -57.65 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.5 93.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.437 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 14.6 t80 -59.48 -47.59 84.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.54 63.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.43 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.01 -41.71 83.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 17.3 t -55.42 -48.92 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -63.02 -34.03 76.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -65.34 -53.24 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.37 -26.17 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -51.07 46.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.08 -61.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 21' ' ' LYS . 2.2 t80 -44.9 -50.15 10.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.19 57.68 3.01 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 47.81 90.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 2.3 tttt -49.1 133.17 18.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -117.92 92.55 3.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -44.29 60.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.03 153.07 35.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.3 -81.57 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -71.87 -51.1 9.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.98 131.0 13.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -91.96 -31.61 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -56.73 18.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -30.93 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.33 94.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.7 -49.06 66.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -53.14 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -53.53 -51.27 63.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 ' CG1' HG21 ' A' ' 59' ' ' THR . 2.4 t -50.89 -40.89 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -28.64 68.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -50.98 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -42.17 89.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.29 67.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.31 -52.55 39.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -52.36 -30.47 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 44' ' ' TYR . . . -81.13 -67.33 1.54 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 47' ' ' SER . . . -41.68 -28.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.42 ' N ' ' C ' ' A' ' 42' ' ' GLY . 3.7 t80 -36.84 -60.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.82 -0.32 7.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.63 -11.78 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 29.5 t -63.87 148.44 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 47' ' ' SER . 1.1 t-20 77.62 -58.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -67.62 -10.78 55.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -155.91 -177.51 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.61 173.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' OD2' ' CB ' ' A' ' 47' ' ' SER . 6.9 m-20 -160.61 -65.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 90' ' ' MET . 69.6 t -91.48 -29.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 8.3 mttt -60.19 -42.23 94.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.1 p -70.98 -31.76 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.412 ' OG ' ' CB ' ' A' ' 89' ' ' MET . 0.3 OUTLIER -58.56 -54.06 51.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.66 -60.12 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 6.9 m-85 -44.49 -39.68 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 20.7 m -69.33 -55.62 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -48.48 -43.15 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -37.64 79.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -67.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -49.22 -40.47 33.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -58.21 -51.99 67.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -57.59 -53.43 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.42 -63.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.65 -61.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.66 28.41 1.61 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.426 1.079 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.8 t -41.56 -53.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.11 92.26 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -56.75 134.52 55.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -136.65 173.7 11.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 74' ' ' SER . 26.0 ptt180 -83.36 -24.59 31.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 73' ' ' ARG . 4.4 p 165.86 72.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -116.81 -52.25 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.38 42.89 29.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.3 tt -104.27 -13.86 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -74.11 -52.37 4.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -74.96 55.35 3.9 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -53.83 -53.85 46.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.66 -31.96 47.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -58.77 -61.72 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.66 -50.43 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -49.43 -32.1 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.43 -47.03 13.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -50.36 -44.94 54.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 1.8 m -68.91 -51.83 35.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -39.89 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.412 ' CB ' ' OG ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -71.93 -61.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.458 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 1.6 ttm -47.18 -25.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.8 mt -86.91 -46.56 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.63 -27.5 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 -47.98 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.21 -16.05 29.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -69.08 -44.49 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -92.66 24.99 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 98' ' ' LEU . 3.0 tt 37.51 41.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 97' ' ' LEU . 2.3 pp 35.73 35.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.524 0.202 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.31 161.56 8.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.2 -75.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.433 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.7 OUTLIER -41.86 -89.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.433 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 75.92 -57.42 3.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -58.0 -61.56 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.71 -40.42 56.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.461 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 37.4 t80 -60.31 -54.36 46.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.24 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.89 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.46 -39.05 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 65.1 t -54.8 -50.73 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -61.97 -37.32 84.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.29 -55.03 36.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.83 -25.71 71.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -46.4 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.76 -62.69 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -50.33 7.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.97 -48.36 0.95 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 57.04 43.59 24.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.63 -72.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.96 37.21 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -151.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.54 160.3 1.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.07 79.81 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -73.55 -51.76 5.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 171.95 17.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -107.1 -28.71 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -44.79 66.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -68.36 -23.09 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.9 94.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -45.19 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.49 -45.21 94.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 86.4 t -64.83 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.34 -40.33 80.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -65.54 -57.92 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.42 -24.38 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -65.86 -53.39 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.29 -62.3 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -53.14 -49.6 66.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.98 -53.23 44.52 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 39' ' ' ALA . . . -44.04 -55.0 5.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.5 t80 54.07 19.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.2 3.28 9.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.82 -13.72 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.54 10.53 29.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -98.37 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.41 0.6 56.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.4 tttt 69.95 29.93 3.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -54.75 -179.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.64 -70.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 90' ' ' MET . 18.5 t -107.31 -11.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -56.64 -50.59 71.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.9 p -63.68 -30.23 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -59.34 -60.1 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -61.55 2.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.27 -33.14 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.9 m -69.9 -55.26 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.17 -44.32 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.78 95.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -55.97 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -36.5 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.61 -61.05 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 t -62.25 -12.19 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mt -83.42 -72.23 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.7 mtm -78.93 -50.14 11.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.8 37.39 0.67 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 79' ' ' PRO . 48.0 t -56.57 -66.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.63 110.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.35 -51.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.04 179.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -127.2 126.11 42.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m 178.52 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -78.59 -46.39 19.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mttt 64.46 48.12 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.0 mt -108.38 -69.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -74.51 -51.68 4.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.01 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 77.81 -58.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.43 56.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 3.6 tp -53.09 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' ALA . 81.6 t -66.67 -61.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -39.96 -33.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.05 -52.93 8.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.04 -43.51 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 89' ' ' MET . 1.4 t -67.52 -57.34 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.12 -25.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.408 ' CE ' ' HA ' ' A' ' 90' ' ' MET . 2.0 ttp -79.0 -63.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.465 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -45.88 -26.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.435 ' N ' ' HG3' ' A' ' 90' ' ' MET . 0.4 OUTLIER -89.49 -41.65 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.98 -25.06 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.415 ' NH2' ' HB3' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -98.11 -50.26 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.3 tt -51.98 -22.19 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.99 -65.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -71.26 -44.64 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.87 32.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -105.15 -36.7 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' HB3' ' NH2' ' A' ' 93' ' ' ARG . 2.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.538 0.209 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.51 -58.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.25 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.431 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -44.25 -90.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.431 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 67.77 -67.74 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' ILE . 5.6 t80 -64.25 -50.96 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 10' ' ' ALA . . . -40.58 -54.87 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -45.6 -58.6 3.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.05 66.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . -65.73 -65.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.84 -41.2 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.87 -46.36 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -61.06 -54.51 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.68 -28.49 71.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -49.34 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.31 -67.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.96 -53.36 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.93 57.61 10.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 42.88 93.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -55.57 157.01 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.74 88.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -67.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.31 179.66 29.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.093 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.26 93.26 0.56 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -64.0 -51.79 60.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.97 56.11 4.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 m -119.26 -67.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.041 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -61.16 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -41.63 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -64.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.58 -58.13 13.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CD2' HD23 ' A' ' 38' ' ' LEU . 5.2 t80 -50.07 -49.89 49.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.472 ' CG2' ' CG2' ' A' ' 59' ' ' THR . 57.9 t -57.63 -31.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.14 60.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -57.52 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 59' ' ' THR . 2.6 pp -60.11 -33.24 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 35' ' ' VAL . . . -56.29 -54.53 44.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.15 -52.21 53.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 6.0 t80 -51.62 -32.85 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.35 -55.78 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.94 -12.88 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.539 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 2.0 t80 -64.51 99.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 0.0 OUTLIER 88.06 -23.4 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 0.9 OUTLIER 71.19 3.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.94 11.31 39.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.027 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 41' ' ' TYR . 5.6 m-20 -98.44 -77.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.19 11.32 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.8 tttt 55.25 -113.57 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -45.78 171.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' VAL . 4.5 m-20 -109.81 -61.22 1.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.4 t -48.76 -25.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.58 -39.12 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -79.26 -27.56 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.433 ' OG ' ' CA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -64.82 -53.12 51.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.031 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -50.35 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -55.15 -29.97 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.472 ' CG2' ' CG2' ' A' ' 35' ' ' VAL . 2.8 m -75.11 -53.92 8.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -52.55 -46.25 66.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -47.82 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.51 ' CE2' HG13 ' A' ' 66' ' ' ILE . 60.8 t80 -62.54 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -41.59 -43.96 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -55.39 -49.19 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' PHE . 1.7 m -64.18 -56.9 11.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.51 HG13 ' CE2' ' A' ' 62' ' ' PHE . 4.1 mm -44.09 -55.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -57.36 13.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 76.33 28.6 59.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 HG13 ' CB ' ' A' ' 78' ' ' MET . 21.2 t -40.34 -59.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.79 139.41 11.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -90.31 81.34 6.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -168.8 105.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -73.4 59.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 t -153.51 -63.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.82 -73.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttm 39.97 53.76 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.3 tt -89.95 -39.5 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.49 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -79.25 -51.63 1.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.93 56.97 4.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -87.49 -41.97 13.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.69 -26.61 71.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -60.44 -74.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.64 -55.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -48.14 -30.95 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.82 -49.41 17.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.423 1.077 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CD1' ' HE3' ' A' ' 90' ' ' MET . 0.3 OUTLIER -53.33 -46.11 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 m -61.95 -58.66 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.89 -22.06 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.423 ' SD ' ' CB ' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -74.04 -64.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 86' ' ' LEU . 5.7 ptp -49.84 -34.39 19.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.415 ' N ' ' HG3' ' A' ' 90' ' ' MET . 1.0 OUTLIER -81.9 -32.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -66.18 -25.45 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -93.47 -44.94 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -13.77 39.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.67 -50.52 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -97.45 23.75 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 96' ' ' LEU . 1.4 tt 35.97 48.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -98.57 -44.28 6.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' N ' ' HG ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptt? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.5 0.191 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -63.13 117.52 6.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -102.73 -60.02 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.472 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -47.69 -95.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.472 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 85.86 -44.36 3.34 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.17 -62.42 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.779 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 10' ' ' ALA . . . -44.58 -50.05 8.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -50.04 -56.93 8.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -20.02 63.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -40.95 78.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.45 -49.59 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -62.85 -33.59 75.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.459 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.84 -53.03 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.85 -25.17 74.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -56.15 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.08 -56.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -47.27 -47.0 25.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.68 -63.8 2.96 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 54.89 166.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -55.73 158.04 3.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.9 158.15 28.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -76.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.14 168.14 35.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.469 ' HA2' ' CZ ' ' A' ' 70' ' ' ARG . . . 70.01 86.86 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -56.02 -51.72 78.3 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.01 54.37 3.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 m -120.54 -67.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -49.34 -64.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tp -41.78 -39.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.58 -48.78 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -64.94 -60.0 7.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -47.01 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -60.23 -53.42 57.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 82' ' ' LEU . 69.0 t -55.04 -31.49 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.78 -35.3 40.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -41.36 89.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -35.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.15 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.08 -51.26 59.57 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.02 -27.82 67.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.58 -74.64 0.89 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.79 -57.0 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.744 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 30.1 t80 60.09 96.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 7.1 ttt180 88.06 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.547 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 21.3 t 63.18 11.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' VAL . 1.8 t -45.99 171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -71.4 71.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -157.34 -45.01 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -106.73 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.473 ' CD ' ' HB ' ' A' ' 55' ' ' VAL . 1.1 ptm180 -67.35 -177.13 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.58 -78.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.6 t -105.06 -11.0 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -55.02 -42.46 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.2 p -70.2 -36.9 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.48 -56.71 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' PHE . 2.1 tt -72.2 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 37.1 t80 -36.91 -42.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 87.0 m -70.79 -58.38 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -42.89 -42.2 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -46.72 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.83 -65.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.13 -50.09 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -46.18 -64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -45.18 -42.9 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.63 -73.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.0 mtt -43.55 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.22 28.18 25.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.04 -79.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.469 ' CZ ' ' HA2' ' A' ' 25' ' ' GLY . 2.6 tpt180 -43.16 136.68 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -109.37 -35.96 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.69 -156.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -134.58 122.61 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -109.76 -65.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -83.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 5.9 mttm -91.26 -91.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -122.39 -101.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.589 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -82.97 -57.7 0.43 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.94 86.02 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -83.53 -47.62 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.5 -37.56 27.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -59.31 -59.54 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 76' ' ' LYS . 76.0 t -61.06 -49.65 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -49.56 -32.62 12.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.2 -52.2 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -37.52 33.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -53.42 16.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.33 -24.08 41.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -75.97 -68.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 1.4 ptm -49.97 -24.66 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 90' ' ' MET . 0.1 OUTLIER -88.25 -35.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -25.55 67.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -46.14 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.2 -16.68 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.15 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -93.32 -28.63 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.494 ' O ' ' CD2' ' A' ' 97' ' ' LEU . 4.3 tt 36.72 39.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.76 -44.58 7.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.491 0.186 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.55 98.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -77.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.432 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -42.76 -89.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 84.11 -47.13 3.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.155 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.24 -57.31 13.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.43 -51.09 49.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -48.39 -50.52 30.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 0.808 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.81 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.61 -41.09 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.93 -52.8 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -61.73 -34.65 76.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.88 -55.44 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.18 -24.78 73.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.59 46.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.88 -53.43 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.78 -37.39 29.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.22 -78.53 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 57.12 95.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -56.47 166.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -165.09 31.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -150.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.73 153.24 13.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.538 1.149 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.0 73.38 0.07 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -68.03 -51.73 26.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.02 147.64 34.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.802 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' ALA . 22.1 t -114.78 -35.74 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 pp -48.51 -45.07 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 tp -67.14 -26.32 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' SER . . . -66.79 -55.31 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.74 93.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.22 -41.9 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.1 -47.4 86.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.63 -37.19 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.27 -34.05 61.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -51.11 56.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -63.16 -34.05 76.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.79 -58.06 10.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.21 -67.2 2.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -45.97 -31.21 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.69 -77.33 0.63 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.4 -62.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 54.55 44.81 28.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 166.87 -30.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.82 -10.74 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -89.71 143.68 26.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 t30 70.64 -62.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -69.47 -9.16 52.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.73 -163.15 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.18 142.78 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -124.39 -65.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 90' ' ' MET . 19.3 t -93.41 -15.35 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 2.1 mmtt -57.84 -48.81 78.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.6 p -65.51 -33.2 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -60.24 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -63.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 7.7 m-85 -40.88 -36.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.2 m -67.1 -58.81 4.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.98 -43.25 29.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -41.87 95.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.48 -65.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.97 -42.52 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.71 80.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -9.51 58.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 mm -89.87 -70.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -44.08 62.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.15 18.03 18.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 79' ' ' PRO . 89.6 t -40.37 -73.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -74.73 95.57 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -132.37 -57.68 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 173.97 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 -82.42 89.55 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.0 t -96.69 170.87 8.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.9 55.51 3.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt 43.52 54.05 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.5 mt -99.18 -76.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.513 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -70.46 -49.9 15.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.527 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 86.06 -61.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.0 -24.86 52.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.37 -83.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -45.02 77.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -54.96 -30.54 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.71 -47.65 19.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.7 -42.73 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.2 m -68.06 -53.76 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -24.13 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.49 -62.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.454 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -56.19 -21.15 21.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 16.9 mt -86.22 -40.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.408 ' CD2' ' C ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -64.62 -27.76 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.463 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.3 -48.87 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -15.43 58.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.3 t -75.3 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -52.37 -32.39 38.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 98' ' ' LEU . 4.0 tt 39.98 54.43 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.22 40.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.505 0.193 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -158.62 149.08 19.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.374 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ILE . 4.9 mt -48.88 -63.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.455 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -46.49 -93.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.455 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 76.4 -57.02 3.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -56.67 -57.59 11.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.25 -52.94 9.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.461 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 23.7 t80 -47.73 -50.96 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.67 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -63.68 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.84 -43.22 76.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 24.9 t -53.92 -48.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -61.89 -36.74 82.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -64.12 -52.65 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.74 -27.37 71.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -50.39 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.5 mm -67.24 -66.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -42.58 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.09 -74.71 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.11 93.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 122.55 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -156.97 88.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -58.21 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.7 -142.86 8.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.37 59.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -65.34 -51.77 50.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.01 -174.61 2.0 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 62.2 m -105.69 -32.45 8.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -62.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.496 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -52.58 -21.76 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 28' ' ' SER . . . -70.06 -56.76 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.44 -39.84 97.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -61.45 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.28 -52.14 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 59' ' ' THR . 55.3 t -52.96 -39.14 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.52 -29.13 66.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.76 30.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -36.27 78.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.13 -44.11 87.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.3 -53.71 10.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -49.84 -31.28 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 48' ' ' ASN . . . -84.72 -53.07 3.3 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' TYR . . . -47.07 -28.98 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -36.29 -66.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -19.12 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER 77.32 -1.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.01 11.47 27.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' HB2' ' CA ' ' A' ' 42' ' ' GLY . 28.6 t30 -83.12 -70.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.61 14.39 6.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.2 mttt 72.1 -92.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 58' ' ' PHE . 2.9 mtp180 -39.74 153.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -115.24 -65.31 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 90' ' ' MET . 27.1 t -88.64 -25.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.5 p -72.41 -37.07 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -59.73 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.55 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 93.4 t80 -37.37 -38.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 20.0 m -70.57 -60.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -41.18 -42.74 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.81 -42.69 73.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -63.51 -63.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.36 -40.81 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -53.44 -54.17 40.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' ILE . 1.3 m -62.64 -59.76 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' THR . 8.9 mm -39.96 -50.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.73 35.31 11.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.43 HG12 ' CB ' ' A' ' 78' ' ' MET . 97.6 t -59.79 -29.72 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.93 105.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.479 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 5.9 t80 -166.44 50.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 71' ' ' PHE . 1.5 mttp 168.27 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 58.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m 167.59 123.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -111.48 -49.49 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.43 57.74 4.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 78' ' ' MET . 1.4 tp -119.56 -56.02 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.471 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -79.72 -52.36 1.09 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.94 55.68 3.99 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -73.99 -47.32 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.29 -13.78 60.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -65.45 -38.39 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -60.26 -30.57 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.06 -47.53 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -37.04 68.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -71.94 -51.15 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -56.5 -24.01 43.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -70.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.435 ' CB ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -48.95 -24.57 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -87.44 -42.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -55.8 -30.07 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.6 -44.5 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.37 -15.23 63.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 3.3 t -75.82 -67.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -51.27 -31.1 20.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' LEU . 3.8 tt 39.11 52.1 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.78 43.42 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 ttt . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.473 0.178 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 54.46 94.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -70.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.443 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -45.05 -91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.443 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 84.61 -50.54 4.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.83 -56.53 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.08 -50.83 57.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -51.66 -50.18 60.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.62 77.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.5 -64.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -53.09 -39.67 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -56.61 -47.48 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -62.78 -36.31 82.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.67 -54.27 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.38 -27.69 71.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -47.36 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -69.25 -68.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.03 -45.03 61.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . 108.1 -45.28 1.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER 168.02 107.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -49.55 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 179.81 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -81.53 -154.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.85 84.26 1.79 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.12 72.42 0.88 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -59.79 -51.46 80.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.03 52.39 3.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.517 1.799 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.7 m -119.99 -59.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.057 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -63.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -40.93 -37.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -61.1 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.85 -60.0 9.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.31 -57.16 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -48.88 -52.73 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.12 -31.57 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.67 -32.63 59.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.94 67.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -68.39 -32.49 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.89 -55.52 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.43 -51.09 60.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -60.06 -30.28 69.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.66 -74.46 0.78 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 44' ' ' TYR . . . -53.95 -59.0 5.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 2.2 t80 69.14 -59.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -121.63 -1.05 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER 77.0 -1.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.6 170.88 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 t30 70.32 -69.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -9.65 58.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 60.83 -108.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -46.38 162.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.81 -41.73 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.37 -11.18 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 15.2 tttt -67.36 -44.9 77.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 59' ' ' THR . 1.4 p -74.62 -34.93 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -56.06 -57.49 11.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' CD1' ' C ' ' A' ' 57' ' ' LEU . 2.3 tm? -68.56 -61.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 7.2 t80 -40.26 -39.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 21.2 m -69.54 -58.5 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -45.72 -42.03 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -39.46 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -38.89 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -59.68 -65.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -55.37 -19.56 9.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mt -77.57 -73.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -60.3 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.59 43.97 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' A' ' 79' ' ' PRO . 20.3 t -71.6 -31.37 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -59.14 3.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -77.58 112.7 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -169.18 159.15 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -128.84 75.61 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.5 t 61.15 77.5 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -119.96 -46.47 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 39.49 36.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -113.47 -70.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.503 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 2.7 mtt -73.96 -50.84 5.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -75.01 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 79' ' ' PRO . . . 84.09 -53.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.64 -25.84 70.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -79.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -51.33 -42.81 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -56.91 -30.98 64.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.59 -47.22 16.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -53.56 -45.87 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.4 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 1.5 m -64.26 -55.89 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.052 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.36 -23.73 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.84 -68.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.3 ptp -49.28 -25.6 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 14.1 mt -80.8 -46.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -29.57 62.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -83.33 -52.15 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -17.55 62.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 3.8 t -72.94 -73.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -52.91 -32.13 43.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 98' ' ' LEU . 3.7 tt 39.84 53.15 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER 36.91 39.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.512 0.196 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.14 148.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.78 -70.81 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.407 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -44.15 -89.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 85.8 -44.14 3.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.19 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.42 -46.64 8.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.407 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 17.3 t80 -57.38 -46.91 82.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.69 -31.34 66.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.39 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -56.48 -42.78 78.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 3.7 t -52.69 -52.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 m -60.95 -33.66 73.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -55.97 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.41 -26.37 70.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.59 59.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.36 -44.5 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -44.92 92.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.08 -45.1 1.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 38.3 88.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 0.748 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.99 113.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.07 155.69 11.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.6 -76.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 40.99 58.48 2.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.4 98.39 1.97 Allowed Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -72.52 -51.46 7.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.96 0.34 9.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.465 ' CA ' ' HA3' ' A' ' 81' ' ' GLY . 3.3 m -82.71 -66.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -40.07 -62.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 tp -45.25 -41.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' SER . . . -55.82 -54.03 49.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.34 -59.34 10.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -44.68 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.98 -56.44 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.471 ' CG2' HG23 ' A' ' 59' ' ' THR . 3.6 t -48.52 -40.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.25 -35.34 76.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -52.88 63.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -30.29 71.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' O ' ' NH1' ' A' ' 51' ' ' ARG . . . -56.79 -52.1 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 -68.27 1.55 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -44.23 -26.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.02 -53.94 3.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.502 ' N ' ' NH1' ' A' ' 51' ' ' ARG . . . -45.51 -33.71 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.736 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -32.58 55.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -21.02 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.542 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 2.6 t -82.51 4.05 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 6.0 t -42.91 165.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.039 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 47' ' ' SER . 9.8 t-20 84.57 -58.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -37.66 88.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.77 88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.502 ' NH1' ' N ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -61.14 159.11 12.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 99' ' ' LEU . 30.3 t0 -169.55 85.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER 77.09 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.462 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mttp -42.79 -43.16 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -77.35 -35.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 t -54.43 -51.76 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -57.8 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 54' ' ' LYS . 3.2 m-85 -43.52 -37.15 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.471 HG23 ' CG2' ' A' ' 35' ' ' VAL . 61.8 m -74.99 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -41.75 -44.85 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -43.81 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.66 -64.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.0 -43.28 69.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -52.49 -56.52 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -57.67 -60.41 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.1 mm -40.44 -56.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.84 -61.05 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.36 44.77 89.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.1 t -51.49 -33.25 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 78' ' ' MET . 39.1 ttt-85 -83.15 -60.06 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -166.9 -54.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.63 -69.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -108.21 137.72 45.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.43 -65.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 tttm 45.69 59.55 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -102.57 -90.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 tt -115.25 -10.23 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.73 -52.12 73.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.95 55.6 3.97 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.481 1.78 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -55.45 -51.54 66.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' HA3' ' CA ' ' A' ' 28' ' ' SER . . . -69.63 -36.12 75.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.88 -71.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.2 t -52.71 -55.15 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.23 -31.53 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.78 29.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.24 -44.36 75.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -66.77 -55.67 13.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tt -53.13 -24.68 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 null -74.73 -61.31 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -58.52 -19.03 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -87.01 -45.88 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.405 ' N ' HG22 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -70.21 -15.0 62.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -41.3 8.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 tt -77.28 -1.17 28.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.1 t -66.12 -46.8 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -94.65 26.68 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.3 33.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.448 ' CD2' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -80.97 -43.19 20.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.529 0.204 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 56.72 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -72.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.44 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -45.87 -93.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.44 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 85.94 -49.63 4.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -58.1 -56.19 25.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.89 -52.64 11.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.423 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 1.8 t80 -53.42 -45.03 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.48 63.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -57.67 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -57.28 -41.83 80.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 18.9 t -55.23 -50.77 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 m -62.78 -31.5 72.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -66.73 -50.96 61.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.29 -25.04 75.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -53.5 12.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -66.41 -61.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.44 -45.27 69.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 37.74 50.93 1.96 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 53.7 98.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -46.31 127.61 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -161.25 125.77 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -60.26 -150.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.63 -162.49 28.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.47 69.37 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.518 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -74.15 -51.58 4.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.98 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' ALA . 1.1 m -103.59 -36.16 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.46 -52.5 13.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 tp -61.8 -27.27 41.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' SER . . . -68.33 -39.24 82.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.3 -54.44 13.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -52.95 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.73 -48.46 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.54 -38.72 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.68 -34.23 59.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -52.67 58.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -33.53 76.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.8 95.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.64 -52.92 9.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -50.2 -36.6 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.25 -49.41 5.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' O ' ' NH2' ' A' ' 93' ' ' ARG . . . -45.85 -35.9 4.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -37.41 -51.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 46' ' ' VAL . 1.8 mtt-85 -96.84 -14.78 21.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' CB ' ' O ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER 81.09 -6.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.6 t -105.61 138.44 41.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 164.56 -50.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -157.61 -45.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 -176.4 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' CG ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -53.29 -81.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' CA ' HG11 ' A' ' 55' ' ' VAL . 5.1 t0 -162.15 -54.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -39.63 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 51' ' ' ARG . 6.9 tttt -61.18 -38.27 85.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.6 p -76.32 -32.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.31 -56.68 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 57' ' ' LEU . 1.8 tm? -68.65 -58.47 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -44.76 -33.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 7.2 m -74.07 -59.61 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . -40.45 -44.65 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -58.76 -63.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 60' ' ' ALA . . . -50.41 -43.94 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 m -70.89 -50.8 31.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.8 mm -45.63 -53.36 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -50.8 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.6 37.56 0.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.467 HG12 ' CG ' ' A' ' 79' ' ' PRO . 61.3 t -70.54 -64.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -56.19 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -164.94 112.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 74.52 -73.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -151.3 160.83 43.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 p -138.88 -66.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 tttt 52.75 41.36 31.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.39 57.79 6.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.5 mt -116.95 -53.29 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -77.09 -52.15 1.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -75.0 -87.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 69.94 -61.75 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -72.09 -32.45 63.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.422 HD21 ' N ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -58.96 -59.66 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 85' ' ' GLY . 79.7 t -70.15 -65.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -42.27 -30.7 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . -73.02 -53.44 7.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.4 -42.71 32.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -54.16 28.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -24.23 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.59 -68.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -47.65 -22.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 23.2 mt -86.93 -48.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -54.36 -25.2 22.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -95.53 -44.62 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -18.8 48.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 60.5 t -72.46 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -45.64 -30.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 98' ' ' LEU . 4.1 tt 39.38 54.93 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER 38.27 43.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.468 0.175 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.0 -64.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.362 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.95 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.439 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -43.98 -91.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.439 ' N ' ' CG1' ' A' ' 4' ' ' ILE . . . 70.34 -59.82 0.85 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -55.77 -58.62 7.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.89 -46.01 40.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -54.84 -47.26 74.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.73 62.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.46 -42.17 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.87 -52.62 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.9 m -61.76 -35.1 77.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.0 -52.27 64.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.8 -24.13 76.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -49.99 39.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -69.43 -57.14 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.32 -38.3 65.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.0 -76.55 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 43.32 92.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.03 133.41 54.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.42 79.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -56.67 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.3 -157.18 25.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.504 1.128 . . . . 0.0 111.043 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.08 77.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.524 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -73.79 -51.5 5.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.04 -174.45 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' ALA . 4.7 m -104.29 -34.19 8.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.58 -50.57 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 tp -61.01 -29.18 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' SER . . . -64.42 -45.46 87.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.53 -56.54 16.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.43 -53.28 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.55 -56.9 13.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -48.53 -35.19 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -37.2 64.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.45 -33.78 71.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -55.01 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.43 -68.71 1.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -48.09 -35.58 11.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.06 -74.36 0.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.25 -63.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.35 31.28 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 2.0 tpt180 178.57 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER 77.9 -2.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 41.3 t -111.04 137.87 48.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 47' ' ' SER . 6.5 m-20 155.19 -59.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -155.31 -45.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 133.05 34.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -62.77 -71.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -166.44 -47.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 90' ' ' MET . 5.3 t -91.61 -12.97 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.24 -46.74 85.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.0 p -71.41 -35.45 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -59.01 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' CD1' ' C ' ' A' ' 57' ' ' LEU . 1.9 tm? -68.29 -64.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 57' ' ' LEU . 28.2 t80 -36.94 -43.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 51.6 m -67.63 -57.82 5.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 82' ' ' LEU . . . -45.44 -41.18 9.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.31 -33.76 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -65.59 -50.52 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -42.19 91.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 82' ' ' LEU . . . -56.39 -44.64 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.69 -33.32 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mt -61.74 -60.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.3 mtt -66.82 -59.41 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.97 44.19 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.463 HG12 ' CB ' ' A' ' 79' ' ' PRO . 25.2 t -87.25 -52.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.84 146.33 37.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -164.8 -55.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.66 116.58 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.74 98.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.2 p -168.94 111.8 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 tttm 72.86 -68.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.81 60.11 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.09 -27.13 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 2.3 mtt -48.45 -52.33 44.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -75.03 -89.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 69.61 -62.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -68.89 -38.35 84.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 60' ' ' ALA . 1.2 tp -52.35 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -44.98 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -51.46 -33.43 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.58 -43.21 19.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' CD2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -52.3 -44.69 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 89' ' ' MET . 9.6 t -70.48 -58.22 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -47.95 -24.35 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.471 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.4 ttp -80.3 -54.61 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -58.16 -19.24 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.459 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 0.8 OUTLIER -92.09 -39.91 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 89' ' ' MET . 0.9 OUTLIER -72.96 -13.74 61.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -46.35 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' MET . 2.5 tp -60.49 -15.97 32.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 2.9 t -66.7 -38.67 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -90.9 15.36 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 98' ' ' LEU . 2.6 tt 38.8 45.29 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.4 mt 36.31 36.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.7 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.51 0.195 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.08 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 -64.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.28 -40.35 70.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' TYR . 5.2 t -53.07 -52.36 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 m -60.99 -36.94 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.72 -54.97 38.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.12 -25.59 72.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -52.58 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.03 -55.73 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.76 73.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.97 -56.11 9.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -41.9 68.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.35 -58.4 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 t -49.67 -37.78 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.58 61.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -41.63 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.2 -41.3 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.99 67.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.43 -10.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.8 mttt -54.15 -42.42 69.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.1 p -68.33 -38.9 80.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' PHE . 7.0 tp -62.3 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 85.8 t80 -37.0 -41.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 18.6 m -68.36 -58.21 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.966 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.22 -40.56 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -38.01 71.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.752 ' O ' HG22 ' A' ' 65' ' ' THR . 0.9 OUTLIER -65.1 -59.36 4.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.864 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -60.88 -35.76 77.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -58.19 -52.34 65.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 62' ' ' PHE . 8.9 t -66.61 -27.17 67.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.61 -65.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.94 89.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.966 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.53 -74.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -53.3 -56.43 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -44.54 -32.86 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.8 -48.6 21.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -42.31 59.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -67.66 -53.71 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -22.34 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.26 -68.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -47.71 -25.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.1 tt -86.53 -44.28 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.516 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -58.81 -21.3 56.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -45.0 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -18.06 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -58.27 -60.26 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.686 HD23 ' H ' ' A' ' 96' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.51 0.195 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.55 67.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.67 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.52 -40.15 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -55.11 -51.34 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -61.48 -34.24 75.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.29 -56.94 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.25 -27.55 69.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.52 68.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.26 -67.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.799 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -65.74 -66.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.456 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -51.86 -45.83 55.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -53.29 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.23 -41.83 72.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.945 HG21 HD13 ' A' ' 82' ' ' LEU . 69.0 t -61.68 -37.75 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.24 -29.66 64.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -49.38 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.684 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -68.14 -28.42 67.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.35 -56.35 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.926 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.4 t70 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 ' HG3' ' A' ' 90' ' ' MET . 25.7 t -54.95 -19.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 31.4 tttt -67.91 -39.94 83.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 52' ' ' ASP . 11.0 p -78.41 -27.09 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -52.72 56.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tt -73.17 -55.93 5.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.6 t80 -44.43 -41.48 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.676 ' CG2' HD21 ' A' ' 38' ' ' LEU . 54.9 m -71.5 -55.54 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.835 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -45.57 -41.62 10.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -43.14 68.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.09 -61.45 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.891 ' HB3' HD11 ' A' ' 82' ' ' LEU . 1.4 tp -58.13 -39.16 78.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -55.02 -45.61 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -69.41 -32.73 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 mm -64.81 -64.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -46.07 92.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.937 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.16 -30.52 75.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.41 -74.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -53.94 -49.76 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.44 -33.78 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.456 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -74.38 -49.82 11.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -47.03 -44.77 20.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -51.09 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -28.3 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.737 ' SD ' HD22 ' A' ' 92' ' ' LEU . 1.6 tmm? -77.3 -63.26 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.598 ' HG3' HG22 ' A' ' 53' ' ' VAL . 3.3 ttm -42.4 -35.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -79.89 -46.37 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.737 HD22 ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -51.04 -25.44 4.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -47.47 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -11.58 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -51.32 -37.49 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.9 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.483 0.182 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.83 -27.63 66.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.38 -64.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.23 -40.02 70.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.3 t -55.46 -49.21 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -62.09 -36.47 81.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -62.5 -56.89 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.53 -27.64 69.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -48.93 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.3 -51.33 69.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.53 -58.67 12.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -46.15 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 38' ' ' LEU . 35.3 t80 -56.5 -58.79 6.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 31' ' ' ALA . 77.1 t -46.57 -38.05 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.55 -34.49 56.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -40.57 95.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.676 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.63 -44.95 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' ' SD ' ' A' ' 89' ' ' MET . . . -54.3 -44.06 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 77.7 t -96.15 -11.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -64.89 -36.04 83.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.441 ' O ' ' CB ' ' A' ' 59' ' ' THR . 11.4 p -73.28 -38.29 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -57.8 -60.01 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.66 -62.02 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 54.0 t80 -43.08 -35.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.0 m -69.14 -56.88 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.454 ' HB3' HD22 ' A' ' 86' ' ' LEU . . . -52.22 -41.44 62.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -46.44 87.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -43.43 -43.75 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.17 -64.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 m -44.21 -29.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mm -78.97 -79.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -64.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.938 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.92 65.26 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -73.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.56 -53.52 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -47.81 -31.91 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.48 -52.45 7.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -45.5 -45.22 13.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 90' ' ' MET . 18.9 m -67.76 -58.99 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' C ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -45.04 -25.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.461 ' SD ' ' CB ' ' A' ' 39' ' ' ALA . 1.4 ttp -80.54 -52.62 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -55.27 -21.65 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.92 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -91.43 -44.94 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -64.4 -15.91 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 -50.35 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.7 -18.4 53.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -54.44 -50.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' HG23 ' A' ' 12' ' ' VAL . 13.1 t80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.505 0.193 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.83 64.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.24 -63.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.94 -42.7 80.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 8' ' ' TYR . 6.1 t -53.7 -48.96 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m -61.73 -37.56 84.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -62.64 -54.87 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -27.52 70.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -46.97 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.67 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 30' ' ' ILE . 3.4 tp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.21 70.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.85 -55.54 29.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.46 -45.31 25.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.58 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' CG2' ' A' ' 59' ' ' THR . 3.8 t -50.44 -39.13 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.53 -37.76 58.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -52.1 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -66.21 -32.25 73.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.597 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -58.98 -43.01 91.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 t -106.42 -10.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -56.59 -46.57 80.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 12.2 p -64.74 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -60.34 -66.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 17.0 t80 -35.94 -36.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 35' ' ' VAL . 4.0 m -69.68 -62.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -44.37 -43.64 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.75 -48.6 78.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -67.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -43.46 -38.81 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.89 -61.17 2.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.5 m -54.75 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -43.34 -53.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 46.3 mtp -45.72 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.58 53.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 63' ' ' LEU . 7.5 tp -58.86 -64.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.62 ' HA ' HD23 ' A' ' 86' ' ' LEU . 95.5 t -55.15 -56.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.48 -31.02 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.47 -46.3 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -55.49 -42.72 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.416 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 15.2 t -64.69 -58.03 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.01 -30.1 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.488 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 1.7 ttp -68.38 -68.06 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -53.22 -19.41 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.993 ' O ' HG23 ' A' ' 95' ' ' VAL . 70.1 mt -87.7 -32.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.629 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.32 -21.36 56.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.513 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.5 -48.8 6.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.19 -17.73 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.993 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.8 t -49.0 -54.31 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.46 0.171 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.07 -23.72 61.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -59.72 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.7 -42.07 92.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.7 t -53.08 -52.9 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -62.35 -32.85 73.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.32 -54.32 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.31 -23.61 76.3 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -51.89 44.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -65.69 -50.3 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.42 82.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.73 -54.65 24.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -43.07 63.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.5 -50.68 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.654 HG13 HG21 ' A' ' 59' ' ' THR . 16.2 t -57.83 -36.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.93 -38.95 75.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -56.49 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 35' ' ' VAL . 3.5 pp -60.23 -29.34 68.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -64.79 -60.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG21 ' HG3' ' A' ' 90' ' ' MET . 89.9 t -96.58 -12.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.52 -44.67 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.2 p -69.67 -38.58 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 t -52.59 -58.42 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -69.53 -64.1 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 18.9 t80 -37.08 -37.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.654 HG21 HG13 ' A' ' 35' ' ' VAL . 33.7 m -73.8 -60.95 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -41.34 -45.21 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -44.96 72.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.21 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -45.85 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -48.54 -53.0 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -56.53 -54.13 49.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.3 mm -48.6 -63.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.5 mmt -42.4 -67.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.14 83.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -47.44 -68.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.481 ' HA ' HD23 ' A' ' 86' ' ' LEU . 9.7 m -54.32 -42.9 59.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.21 -32.74 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.96 -45.01 10.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -51.74 -43.06 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -72.49 -56.25 5.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -31.01 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 ttp -76.01 -65.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.444 ' HG3' HG21 ' A' ' 53' ' ' VAL . 4.6 tmm? -40.26 -33.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.5 mt -85.39 -45.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -54.59 -20.1 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -44.17 6.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.1 tt -58.09 -18.32 24.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.78 -60.22 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.476 0.179 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -23.36 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -65.12 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.39 -42.25 73.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -54.85 -47.52 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -62.16 -37.23 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.61 -54.76 30.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.43 -28.46 71.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -48.86 65.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.2 mm -69.27 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -66.45 -51.84 52.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.469 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -59.05 -59.79 10.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.29 -54.45 8.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CD1' HD23 ' A' ' 38' ' ' LEU . 58.2 t80 -47.8 -53.68 14.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.831 HG21 HD23 ' A' ' 82' ' ' LEU . 90.0 t -55.35 -33.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.54 72.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -53.4 37.38 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -63.29 -26.63 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -63.81 -58.82 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.417 HG22 ' HB3' ' A' ' 90' ' ' MET . 64.8 t -97.77 -10.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 8.8 mttp -59.97 -48.88 79.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 8.1 p -73.25 -34.53 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -52.78 -57.41 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -72.58 -62.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.1 t80 -37.05 -41.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.571 ' CG2' HG13 ' A' ' 35' ' ' VAL . 87.1 m -72.8 -59.69 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -40.97 -43.15 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.78 -44.7 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.48 -63.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.749 ' HB3' HD21 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.3 -43.95 71.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -48.63 -53.96 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -56.55 -51.28 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.99 -64.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.76 -40.75 36.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -59.51 -62.07 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.643 ' HA ' HD23 ' A' ' 86' ' ' LEU . 58.4 t -56.4 -54.47 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -50.54 -29.75 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -70.9 -51.04 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -53.19 -43.6 67.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' MET . 0.3 OUTLIER -61.53 -59.11 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -30.64 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.3 ttp -66.14 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' SER . 16.8 ptm -47.78 -31.09 4.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 95' ' ' VAL . 19.3 mt -79.08 -32.32 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -72.84 -22.42 60.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.47 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -90.49 -46.4 8.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -15.34 59.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.7 t -74.48 -65.97 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.7 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.476 0.179 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.34 64.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.42 -62.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.6 pp -58.92 -42.24 89.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.4 t -54.37 -50.31 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -62.29 -34.33 76.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.62 -51.66 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.83 -25.76 74.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -51.42 28.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.22 -63.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.54 -57.37 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.96 -44.52 98.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -58.38 6.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -55.86 -39.91 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.71 HG21 HD13 ' A' ' 63' ' ' LEU . 2.9 t -61.22 -34.2 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.14 -42.54 50.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -49.15 78.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -68.52 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -58.75 -43.92 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -89.21 -15.67 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.9 tttt -59.7 -46.15 89.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.9 p -70.73 -36.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -56.71 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -74.1 -63.32 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 9.0 t80 -36.4 -38.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 96.7 m -75.77 -60.89 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -40.43 -46.19 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -43.51 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -57.13 -63.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -55.29 -48.73 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 82' ' ' LEU . . . -47.92 -42.24 26.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -73.21 -39.87 65.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.01 -59.21 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 ttp -69.07 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.643 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.45 -19.19 59.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD23 HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -59.3 -79.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.773 HG23 HD23 ' A' ' 82' ' ' LEU . 49.1 t -64.66 -48.96 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -52.3 -30.74 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -51.54 9.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -49.2 -44.31 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -66.19 -54.0 30.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -20.83 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -67.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -50.67 -22.11 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.2 tp -90.03 -42.27 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -30.01 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.649 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -94.23 -50.42 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 90' ' ' MET . 3.5 tp -55.22 -19.86 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.7 t -72.63 -76.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.445 0.164 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.32 -26.58 60.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.21 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.83 -43.36 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.91 -49.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -63.88 -32.34 73.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -65.18 -52.47 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.75 77.18 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -53.82 20.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.78 -57.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.4 58.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.52 -49.23 70.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -42.44 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.22 -49.89 75.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.777 HG13 ' CG2' ' A' ' 59' ' ' THR . 99.3 t -54.73 -38.97 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.87 -37.59 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -54.54 45.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.746 HD11 HG21 ' A' ' 59' ' ' THR . 4.6 pp -62.67 -34.83 77.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.576 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -57.18 -42.12 80.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.5 t -98.35 -10.87 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -49.57 -46.71 49.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.6 p -67.87 -37.56 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.62 -64.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -62.93 -64.44 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 64.8 t80 -36.35 -43.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.777 ' CG2' HG13 ' A' ' 35' ' ' VAL . 20.9 m -66.55 -58.49 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -45.89 -41.03 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -61.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.8 OUTLIER -57.03 -40.67 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -56.35 -56.36 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.7 m -56.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.0 mt -40.3 -53.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 3.1 mmt -48.57 -68.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.45 -52.58 25.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -45.42 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.659 ' HA ' HD23 ' A' ' 86' ' ' LEU . 17.1 t -47.22 -55.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -41.89 -34.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.22 14.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -54.52 -37.76 65.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 t -72.48 -56.04 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -31.2 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.1 ttp -76.38 -54.06 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.06 -30.68 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.3 tt -85.91 -40.76 14.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.666 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -62.14 -18.5 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.642 ' NH1' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -98.38 -47.03 5.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -64.45 -14.54 57.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 91' ' ' ILE . 4.1 t -72.94 -64.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.642 HD21 ' NH1' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.2 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.469 0.176 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 -21.7 63.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.8 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -54.98 -39.91 69.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' TYR . 97.0 t -55.31 -48.76 76.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -62.52 -37.15 84.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.28 -53.75 50.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -25.89 72.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -52.23 46.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.3 -63.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.543 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.57 -57.94 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.22 -53.76 40.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.127 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.0 -63.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.618 ' CD1' HD21 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -44.78 -58.37 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.576 ' CG2' HD12 ' A' ' 82' ' ' LEU . 35.3 t -44.34 -40.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.21 -45.94 83.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -42.09 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.749 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.69 -39.94 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.96 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -104.12 -10.77 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -47.81 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.2 p -64.01 -30.13 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -57.64 11.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.23 -57.81 10.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -50.84 -29.8 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 HD12 ' A' ' 38' ' ' LEU . 1.4 m -71.01 -52.58 18.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.894 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . -56.68 -45.27 81.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.36 -31.44 70.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -71.96 -66.8 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 82' ' ' LEU . 7.8 tp -52.87 -35.61 57.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -60.78 -65.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -51.23 -57.43 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.2 mm -46.96 -60.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtt -43.3 -66.53 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.99 96.51 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 60' ' ' ALA . 10.2 tp -56.98 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.951 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.6 t -47.1 -47.9 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -52.47 -31.37 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -75.01 -51.72 7.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.951 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -50.02 -38.85 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -70.33 -58.7 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -47.47 -24.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.403 ' N ' ' C ' ' A' ' 87' ' ' SER . 1.9 ttp -78.79 -61.37 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.5 ppp? -48.34 -27.01 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.824 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -87.52 -41.23 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -58.95 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -56.6 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -23.08 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.1 t -60.8 -64.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.475 0.178 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.14 62.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -65.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.89 -39.52 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -54.63 -52.69 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -61.58 -33.46 73.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.47 -51.33 63.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.06 -25.1 75.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -52.84 22.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -69.23 -60.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -69.12 -36.18 77.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.16 -50.89 25.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -41.33 81.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.43 -45.91 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 HD11 ' A' ' 63' ' ' LEU . 14.9 t -59.52 -35.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -68.99 -45.74 61.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.41 -55.37 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.38 -34.13 73.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -57.49 -45.66 84.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.478 HG22 ' CB ' ' A' ' 90' ' ' MET . 49.1 t -109.89 -10.74 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -50.3 -52.99 31.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.1 p -62.99 -33.43 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.08 -64.56 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -40.24 -33.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.5 m -70.42 -60.65 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.915 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -44.57 -44.57 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.38 -46.87 84.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -65.12 -68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -44.17 -37.06 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.04 -68.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -53.61 -60.47 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 62' ' ' PHE . 73.6 mt -42.81 -54.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 2.9 mmt -48.85 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.693 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.83 -25.21 63.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.915 HD23 ' HA ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -57.93 -78.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.678 ' HA ' HD23 ' A' ' 86' ' ' LEU . 71.5 t -63.24 -56.6 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -46.33 -31.53 2.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.77 -52.53 11.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -50.74 -42.66 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.43 4.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -28.73 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.2 ttp -68.64 -67.19 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' HG22 ' A' ' 53' ' ' VAL . 6.0 ptm -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 95' ' ' VAL . 10.4 mm -80.62 -39.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -78.77 -12.48 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.826 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -90.15 -52.68 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.9 tt -57.23 -18.24 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 91' ' ' ILE . 7.0 t -73.59 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.706 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.47 0.176 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.54 63.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.43 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.01 -41.71 83.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 8' ' ' TYR . 17.3 t -55.42 -48.92 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -63.02 -34.03 76.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -65.34 -53.24 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.37 -26.17 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -51.07 46.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.08 -61.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.33 94.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.7 -49.06 66.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -53.14 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -53.53 -51.27 63.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 ' CG1' HG21 ' A' ' 59' ' ' THR . 2.4 t -50.89 -40.89 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -28.64 68.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -50.98 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -42.17 89.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.29 67.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.86 HG22 ' HA ' ' A' ' 90' ' ' MET . 69.6 t -91.48 -29.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 8.3 mttt -60.19 -42.23 94.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.1 p -70.98 -31.76 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.412 ' OG ' ' CB ' ' A' ' 89' ' ' MET . 0.3 OUTLIER -58.56 -54.06 51.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.66 -60.12 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 6.9 m-85 -44.49 -39.68 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.54 HG21 ' CG1' ' A' ' 35' ' ' VAL . 20.7 m -69.33 -55.62 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.7 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -48.48 -43.15 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -37.64 79.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -67.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.772 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -49.22 -40.47 33.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -58.21 -51.99 67.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -57.59 -53.43 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.42 -63.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.65 -61.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.426 1.079 . . . . 0.0 110.993 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.66 -31.96 47.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.772 HD21 ' CB ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -58.77 -61.72 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.66 -50.43 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -49.43 -32.1 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.43 -47.03 13.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -50.36 -44.94 54.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 1.8 m -68.91 -51.83 35.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -39.89 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.654 ' SD ' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -71.93 -61.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.86 ' HA ' HG22 ' A' ' 53' ' ' VAL . 1.6 ttm -47.18 -25.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 95' ' ' VAL . 18.8 mt -86.91 -46.56 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.654 HD22 ' SD ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -52.63 -27.5 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 -47.98 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.21 -16.05 29.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.3 t -69.08 -44.49 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.842 ' O ' HG23 ' A' ' 12' ' ' VAL . 37.4 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.489 0.185 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.24 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.89 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.46 -39.05 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 8' ' ' TYR . 65.1 t -54.8 -50.73 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -61.97 -37.32 84.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.29 -55.03 36.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.83 -25.71 71.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -46.4 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.76 -62.69 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -67.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.9 94.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -45.19 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.49 -45.21 94.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.723 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 86.4 t -64.83 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.34 -40.33 80.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -65.54 -57.92 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.42 -24.38 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -65.86 -53.39 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 90' ' ' MET . 18.5 t -107.31 -11.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -56.64 -50.59 71.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.9 p -63.68 -30.23 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -59.34 -60.1 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.628 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -59.2 -61.55 2.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.27 -33.14 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.9 m -69.9 -55.26 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.711 ' O ' HD11 ' A' ' 82' ' ' LEU . . . -53.17 -44.32 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.78 95.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.424 ' HD2' HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.36 -55.97 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -36.5 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.596 ' HB2' HD21 ' A' ' 82' ' ' LEU . . . -63.61 -61.05 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 62' ' ' PHE . 6.4 t -62.25 -12.19 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 67' ' ' MET . 27.1 mt -83.42 -72.23 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.465 ' N ' HG22 ' A' ' 66' ' ' ILE . 3.7 mtm -78.93 -50.14 11.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.691 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.43 56.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.711 HD11 ' O ' ' A' ' 60' ' ' ALA . 3.6 tp -53.09 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HA ' HD23 ' A' ' 86' ' ' LEU . 81.6 t -66.67 -61.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -39.96 -33.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.05 -52.93 8.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.04 -43.51 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' HD12 ' A' ' 86' ' ' LEU . 1.4 t -67.52 -57.34 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -46.12 -25.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' SER . 2.0 ttp -79.0 -63.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.822 ' HE3' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -45.88 -26.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.822 HD12 ' HE3' ' A' ' 90' ' ' MET . 0.4 OUTLIER -89.49 -41.65 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.676 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.98 -25.06 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.599 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.11 -50.26 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.3 tt -51.98 -22.19 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 96' ' ' LEU . 2.3 t -65.99 -65.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 95' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.549 0.214 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.05 66.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -65.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -54.84 -41.2 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.87 -46.36 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -61.06 -54.51 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.68 -28.49 71.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -49.34 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.31 -67.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -64.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.58 -58.13 13.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CD2' HD23 ' A' ' 38' ' ' LEU . 5.2 t80 -50.07 -49.89 49.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.984 HG22 ' CG2' ' A' ' 59' ' ' THR . 57.9 t -57.63 -31.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.14 60.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -57.52 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 59' ' ' THR . 2.6 pp -60.11 -33.24 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.713 ' HB1' ' SD ' ' A' ' 89' ' ' MET . . . -56.29 -54.53 44.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.557 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.5 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.4 t -48.76 -25.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.58 -39.12 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -79.26 -27.56 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.456 ' HB3' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -64.82 -53.12 51.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.031 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -69.32 -50.35 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -55.15 -29.97 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.984 ' CG2' HG22 ' A' ' 35' ' ' VAL . 2.8 m -75.11 -53.92 8.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.922 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -52.55 -46.25 66.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HD23 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -63.54 -47.82 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.511 ' CE2' HG13 ' A' ' 66' ' ' ILE . 60.8 t80 -62.54 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.606 ' HB3' HD21 ' A' ' 82' ' ' LEU . 1.1 tp -41.59 -43.96 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -55.39 -49.19 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' PHE . 1.7 m -64.18 -56.9 11.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.511 HG13 ' CE2' ' A' ' 62' ' ' PHE . 4.1 mm -44.09 -55.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -57.36 13.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.69 -26.61 71.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.922 HD22 ' HA ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -60.44 -74.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.64 -55.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -48.14 -30.95 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.82 -49.41 17.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.423 1.077 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.33 -46.11 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.446 ' N ' HD12 ' A' ' 86' ' ' LEU . 15.9 m -61.95 -58.66 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.89 -22.06 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.713 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -74.04 -64.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 5.7 ptp -49.84 -34.39 19.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.939 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -81.9 -32.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -66.18 -25.45 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -93.47 -44.94 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -13.77 39.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.4 t -48.67 -50.52 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.653 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.7 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -20.02 63.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -40.95 78.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 8' ' ' TYR . 53.9 t -55.45 -49.59 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -62.85 -33.59 75.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.459 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.84 -53.03 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.85 -25.17 74.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -56.15 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.08 -56.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -61.58 -48.78 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.94 -60.0 7.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -47.01 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -60.23 -53.42 57.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.882 HG21 HD13 ' A' ' 82' ' ' LEU . 69.0 t -55.04 -31.49 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.78 -35.3 40.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -41.36 89.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -73.38 -35.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.15 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.6 t -105.06 -11.0 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -55.02 -42.46 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.2 p -70.2 -36.9 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.48 -56.71 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' PHE . 2.1 tt -72.2 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 37.1 t80 -36.91 -42.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 87.0 m -70.79 -58.38 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 1.013 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -42.89 -42.2 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -46.72 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.83 -65.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.802 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -48.13 -50.09 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -46.18 -64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -45.18 -42.9 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.63 -73.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.0 mtt -43.55 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.5 -37.56 27.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -59.31 -59.54 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.521 ' HA ' HD23 ' A' ' 86' ' ' LEU . 76.0 t -61.06 -49.65 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -49.56 -32.62 12.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.2 -52.2 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -50.02 -37.52 33.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -53.42 16.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.33 -24.08 41.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -75.97 -68.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' HD12 ' A' ' 91' ' ' ILE . 1.4 ptm -49.97 -24.66 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.904 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -88.25 -35.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -25.55 67.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -46.14 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.2 -16.68 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.0 t -41.15 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.7 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.476 0.179 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.81 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.61 -41.09 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.9 t -52.93 -52.8 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -61.73 -34.65 76.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.88 -55.44 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.18 -24.78 73.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.59 46.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.88 -53.43 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.79 -55.31 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.74 93.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.22 -41.9 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.1 -47.4 86.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.63 -37.19 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.27 -34.05 61.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -51.11 56.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -63.16 -34.05 76.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.79 -58.06 10.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.766 HG22 ' HB2' ' A' ' 90' ' ' MET . 19.3 t -93.41 -15.35 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 2.1 mmtt -57.84 -48.81 78.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.6 p -65.51 -33.2 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.43 -60.24 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -63.07 -63.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 7.7 m-85 -40.88 -36.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.2 m -67.1 -58.81 4.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.536 ' O ' HD21 ' A' ' 82' ' ' LEU . . . -47.98 -43.25 29.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -41.87 95.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.437 ' O ' HG22 ' A' ' 65' ' ' THR . 1.6 t80 -67.48 -65.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.97 -42.52 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.71 80.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -71.28 -9.51 58.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 mm -89.87 -70.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -44.08 62.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.0 -24.86 52.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD21 ' O ' ' A' ' 60' ' ' ALA . 1.5 tp -60.37 -83.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.626 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -55.13 -45.02 77.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -54.96 -30.54 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.71 -47.65 19.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -53.7 -42.73 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.2 m -68.06 -53.76 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -24.13 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.49 -62.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.766 ' HB2' HG22 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -56.19 -21.15 21.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 95' ' ' VAL . 16.9 mt -86.22 -40.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.647 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -64.62 -27.76 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.709 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.3 -48.87 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -15.43 58.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -75.3 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.725 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.7 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.513 0.197 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.67 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -63.68 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.84 -43.22 76.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 8' ' ' TYR . 24.9 t -53.92 -48.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -61.89 -36.74 82.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -64.12 -52.65 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.74 -27.37 71.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -50.39 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.5 mm -67.24 -66.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.948 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.06 -56.76 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.44 -39.84 97.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -61.45 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.28 -52.14 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 59' ' ' THR . 55.3 t -52.96 -39.14 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.52 -29.13 66.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.76 30.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -36.27 78.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -58.13 -44.11 87.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.1 t -88.64 -25.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.5 p -72.41 -37.07 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.43 -59.73 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.55 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 93.4 t80 -37.37 -38.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.598 HG21 HG11 ' A' ' 35' ' ' VAL . 20.0 m -70.57 -60.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.601 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -41.18 -42.74 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.81 -42.69 73.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -63.51 -63.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -53.36 -40.81 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -53.44 -54.17 40.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' ILE . 1.3 m -62.64 -59.76 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' THR . 8.9 mm -39.96 -50.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.29 -13.78 60.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.749 HD23 HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -62.48 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.749 HG13 HD23 ' A' ' 82' ' ' LEU . 2.6 m -65.45 -38.39 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.26 -30.57 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.06 -47.53 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.677 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -56.04 -37.04 68.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -71.94 -51.15 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -56.5 -24.01 43.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -70.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -48.95 -24.57 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -87.44 -42.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -55.8 -30.07 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.505 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -92.6 -44.5 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.37 -15.23 63.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.3 t -75.82 -67.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.618 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.6 t80 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.481 0.181 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.62 77.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.5 -64.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.8 pp -53.09 -39.67 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.4 t -56.61 -47.48 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -62.78 -36.31 82.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.67 -54.27 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.38 -27.69 71.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -47.36 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -69.25 -68.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -61.1 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.85 -60.0 9.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.31 -57.16 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -48.88 -52.73 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.12 -31.57 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.67 -32.63 59.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.94 67.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -68.39 -32.49 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB1' ' SD ' ' A' ' 89' ' ' MET . . . -64.89 -55.52 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 3.6 t0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.37 -11.18 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 15.2 tttt -67.36 -44.9 77.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 52' ' ' ASP . 1.4 p -74.62 -34.93 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -56.06 -57.49 11.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.676 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.3 tm? -68.56 -61.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 7.2 t80 -40.26 -39.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.5 ' CG2' HD21 ' A' ' 38' ' ' LEU . 21.2 m -69.54 -58.5 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -45.72 -42.03 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -39.46 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 65' ' ' THR . 0.1 OUTLIER -65.51 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -54.66 -38.89 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.68 -65.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 62' ' ' PHE . 14.5 t -55.37 -19.56 9.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 67' ' ' MET . 24.8 mt -77.57 -73.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.486 ' N ' HG22 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -60.87 -60.3 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.64 -25.84 70.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -61.01 -79.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.584 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -51.33 -42.81 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -56.91 -30.98 64.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.59 -47.22 16.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -53.56 -45.87 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -64.26 -55.89 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.052 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.36 -23.73 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.504 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -74.84 -68.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.3 ptp -49.28 -25.6 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.1 mt -80.8 -46.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -56.7 -29.57 62.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.538 ' N ' HD23 ' A' ' 92' ' ' LEU . 6.9 mmt180 -83.33 -52.15 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -17.55 62.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.8 t -72.94 -73.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.47 ' N ' HG12 ' A' ' 95' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 12' ' ' VAL . 17.3 t80 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.69 -31.34 66.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.39 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -56.48 -42.78 78.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.7 t -52.69 -52.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 m -60.95 -33.66 73.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -55.97 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.41 -26.37 70.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.59 59.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.36 -44.5 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.599 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -55.82 -54.03 49.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.34 -59.34 10.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -44.68 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.98 -56.44 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 59' ' ' THR . 3.6 t -48.52 -40.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -69.25 -35.34 76.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -52.88 63.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -30.29 71.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -56.79 -52.1 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER 77.09 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.9 mttp -42.79 -43.16 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.35 -35.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 t -54.43 -51.76 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -71.09 -57.8 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 54' ' ' LYS . 3.2 m-85 -43.52 -37.15 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.516 HG22 HG22 ' A' ' 35' ' ' VAL . 61.8 m -74.99 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 1.013 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -41.75 -44.85 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -43.81 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.66 -64.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.884 ' CB ' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.0 -43.28 69.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -52.49 -56.52 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -57.67 -60.41 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.1 mm -40.44 -56.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.84 -61.05 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.63 -36.12 75.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.88 -71.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.2 t -52.71 -55.15 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.23 -31.53 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.78 29.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.24 -44.36 75.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -66.77 -55.67 13.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.502 HD23 HD23 ' A' ' 92' ' ' LEU . 3.3 tt -53.13 -24.68 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 null -74.73 -61.31 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -58.52 -19.03 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.986 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -87.01 -45.88 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -70.21 -15.0 62.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -41.3 8.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 94' ' ' LEU . 7.1 tt -77.28 -1.17 28.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.1 t -66.12 -46.8 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 t80 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.553 0.216 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.48 63.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -57.67 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -57.28 -41.83 80.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 8' ' ' TYR . 18.9 t -55.23 -50.77 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 m -62.78 -31.5 72.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -66.73 -50.96 61.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.29 -25.04 75.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -53.5 12.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -66.41 -61.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.24 82.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.3 -54.44 13.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -52.95 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.73 -48.46 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.704 HG13 HG21 ' A' ' 59' ' ' THR . 2.5 t -55.54 -38.72 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.68 -34.23 59.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -52.67 58.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -65.36 -33.53 76.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.8 95.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' O ' HG12 ' A' ' 55' ' ' VAL . 5.1 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -39.63 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -61.18 -38.27 85.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 52' ' ' ASP . 13.6 p -76.32 -32.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -57.31 -56.68 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.8 tm? -68.65 -58.47 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -44.76 -33.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.704 HG21 HG13 ' A' ' 35' ' ' VAL . 7.2 m -74.07 -59.61 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -40.45 -44.65 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -58.76 -63.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -50.41 -43.94 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 m -70.89 -50.8 31.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 66' ' ' ILE . 18.8 mm -45.63 -53.36 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -50.8 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 110.976 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.45 63.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -58.96 -59.66 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.808 ' HA ' HD23 ' A' ' 86' ' ' LEU . 79.7 t -70.15 -65.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -42.27 -30.7 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . -73.02 -53.44 7.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.808 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -48.4 -42.71 32.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -54.16 28.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -24.23 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.59 -68.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -47.65 -22.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.94 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.2 mt -86.93 -48.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -54.36 -25.2 22.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -95.53 -44.62 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -18.8 48.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 91' ' ' ILE . 60.5 t -72.46 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.0 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.73 62.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.46 -42.17 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.6 t -52.87 -52.62 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.9 m -61.76 -35.1 77.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.0 -52.27 64.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.8 -24.13 76.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -49.99 39.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -69.43 -57.14 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 30' ' ' ILE . 4.7 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.46 87.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.53 -56.54 16.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.43 -53.28 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.55 -56.9 13.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.67 HG13 ' CG2' ' A' ' 59' ' ' THR . 2.4 t -48.53 -35.19 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -37.2 64.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.762 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.45 -33.78 71.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -55.01 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.3 t -91.61 -12.97 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.24 -46.74 85.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.0 p -71.41 -35.45 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.04 -59.01 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.651 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.9 tm? -68.29 -64.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 57' ' ' LEU . 28.2 t80 -36.94 -43.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.67 ' CG2' HG13 ' A' ' 35' ' ' VAL . 51.6 m -67.63 -57.82 5.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.628 ' O ' HD23 ' A' ' 82' ' ' LEU . . . -45.44 -41.18 9.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.31 -33.76 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' ' 65' ' ' THR . 0.3 OUTLIER -65.59 -50.52 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -65.66 -42.19 91.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . . . -56.39 -44.64 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -72.69 -33.32 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 63' ' ' LEU . 26.2 mt -61.74 -60.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.3 mtt -66.82 -59.41 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.89 -38.35 84.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 60' ' ' ALA . 1.2 tp -52.35 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -50.62 -44.98 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -51.46 -33.43 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.58 -43.21 19.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.633 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -52.3 -44.69 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 89' ' ' MET . 9.6 t -70.48 -58.22 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.515 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -47.95 -24.35 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.4 ttp -80.3 -54.61 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -58.16 -19.24 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.862 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -92.09 -39.91 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -72.96 -13.74 61.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -46.35 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' MET . 2.5 tp -60.49 -15.97 32.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.9 t -66.7 -38.67 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.561 0.22 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -47.58 145.12 2.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.5 -63.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.578 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -41.77 -90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.578 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 71.08 -70.58 0.78 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.91 -56.71 18.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.536 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -38.74 -49.88 2.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.7 t80 -54.66 -51.63 64.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.08 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.55 -64.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.28 -40.35 70.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' TYR . 5.2 t -53.07 -52.36 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 m -60.99 -36.94 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.72 -54.97 38.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.12 -25.59 72.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -52.58 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.03 -55.73 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.41 -49.2 13.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.67 -72.14 0.65 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -41.87 133.37 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -53.56 150.86 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -76.26 155.5 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -52.54 38.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -156.29 24.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.08 -57.41 0.59 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -49.91 -51.45 60.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.97 179.05 6.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -118.73 -55.39 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.27 -51.65 18.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 mp -56.23 -38.01 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -65.27 -31.76 73.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.97 -56.11 9.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -41.9 68.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.35 -58.4 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 t -49.67 -37.78 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.58 61.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -41.63 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.2 -41.3 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.99 67.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -80.05 -68.35 1.49 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -37.8 -31.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 44' ' ' TYR . . . -85.93 -57.38 2.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . . . -39.95 -29.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.439 ' N ' ' C ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -36.47 -53.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.67 6.52 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -50.76 -22.13 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -38.8 138.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 170.17 -60.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -99.15 -10.38 22.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.01 44.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -178.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -153.17 -84.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.43 -10.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.8 mttt -54.15 -42.42 69.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.1 p -68.33 -38.9 80.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' PHE . 7.0 tp -62.3 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 85.8 t80 -37.0 -41.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 18.6 m -68.36 -58.21 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.966 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.22 -40.56 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -38.01 71.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.752 ' O ' HG22 ' A' ' 65' ' ' THR . 0.9 OUTLIER -65.1 -59.36 4.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.864 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -60.88 -35.76 77.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -58.19 -52.34 65.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 62' ' ' PHE . 8.9 t -66.61 -27.17 67.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.61 -65.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.86 44.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.807 HG22 ' HA ' ' A' ' 79' ' ' PRO . 3.1 t -72.0 -33.64 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 164.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -38.17 116.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.16 -176.36 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -79.81 120.72 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.58 160.13 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -107.36 47.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.38 57.34 5.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mt -119.49 -70.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.472 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.23 -52.28 49.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.807 ' HA ' HG22 ' A' ' 69' ' ' VAL . 18.1 Cg_endo -75.06 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 82.08 -54.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.423 ' HA3' ' CA ' ' A' ' 28' ' ' SER . . . -60.24 -35.94 89.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.966 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.53 -74.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -53.3 -56.43 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -44.54 -32.86 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.8 -48.6 21.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -42.31 59.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -67.66 -53.71 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -22.34 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.26 -68.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -47.71 -25.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.1 tt -86.53 -44.28 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.516 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -58.81 -21.3 56.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -45.0 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -18.06 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -58.27 -60.26 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.686 HD23 ' H ' ' A' ' 96' ' ' LEU . 1.4 pt? -83.88 -43.45 15.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.3 tt 35.62 46.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 96' ' ' LEU . 2.0 pp -125.71 -44.58 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 98' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.513 0.197 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -147.12 157.11 43.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -64.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.622 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -41.1 -87.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.29 -47.15 3.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.44 -64.38 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.622 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -39.82 -51.86 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -56.5 -50.58 71.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.55 67.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -66.67 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.52 -40.15 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -55.11 -51.34 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -61.48 -34.24 75.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.29 -56.94 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.25 -27.55 69.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.52 68.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.26 -67.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -38.61 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.63 -56.57 5.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.71 162.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -53.48 121.09 7.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -101.61 169.02 9.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -59.88 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.38 146.88 6.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.137 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' HA2' ' CB ' ' A' ' 77' ' ' ILE . . . 89.28 93.88 1.11 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -61.61 -51.7 74.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.312 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 54.64 3.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 16.9 p -120.38 -58.33 1.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.959 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.76 -47.24 20.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.799 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -62.64 -33.05 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -65.74 -66.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.456 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -51.86 -45.83 55.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -53.29 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.23 -41.83 72.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.945 HG21 HD13 ' A' ' 82' ' ' LEU . 69.0 t -61.68 -37.75 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.24 -29.66 64.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -49.38 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.684 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -68.14 -28.42 67.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.35 -56.35 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.86 -65.81 2.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -52.59 -37.58 58.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.04 -77.1 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.127 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.581 ' HB1' ' HB ' ' A' ' 46' ' ' VAL . . . -42.09 -63.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 5.4 t80 68.27 -62.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -123.59 3.34 8.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.581 ' HB ' ' HB1' ' A' ' 43' ' ' ALA . 2.9 t -80.54 -0.68 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 40.6 t -102.25 143.92 31.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.841 ' HA ' HD13 ' A' ' 99' ' ' LEU . 37.2 t30 74.96 -64.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -71.9 -9.05 57.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -159.27 175.63 13.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -64.05 147.65 51.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.926 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.4 t70 -120.75 -46.93 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 ' HG3' ' A' ' 90' ' ' MET . 25.7 t -54.95 -19.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 31.4 tttt -67.91 -39.94 83.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 52' ' ' ASP . 11.0 p -78.41 -27.09 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -52.72 56.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tt -73.17 -55.93 5.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.6 t80 -44.43 -41.48 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.676 ' CG2' HD21 ' A' ' 38' ' ' LEU . 54.9 m -71.5 -55.54 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.835 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -45.57 -41.62 10.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -43.14 68.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.09 -61.45 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.891 ' HB3' HD11 ' A' ' 82' ' ' LEU . 1.4 tp -58.13 -39.16 78.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -55.02 -45.61 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -69.41 -32.73 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 mm -64.81 -64.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -46.07 92.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 70' ' ' ARG . . . 115.87 30.41 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 79' ' ' PRO . 1.6 t -40.66 -30.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -45.31 149.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' ARG . 61.7 t80 -37.74 -55.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 70.92 -79.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.07 -59.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.04 -179.92 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.74 60.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.43 49.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.407 ' CB ' ' HA2' ' A' ' 25' ' ' GLY . 21.6 pt -112.0 -16.47 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.525 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -77.79 -49.06 2.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.719 ' HA ' HG22 ' A' ' 69' ' ' VAL . 18.5 Cg_endo -74.95 -166.42 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 84.69 -50.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 28' ' ' SER . . . -67.16 -30.52 75.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.41 -74.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -53.94 -49.76 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.44 -33.78 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.456 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -74.38 -49.82 11.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -47.03 -44.77 20.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -51.09 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -28.3 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.737 ' SD ' HD22 ' A' ' 92' ' ' LEU . 1.6 tmm? -77.3 -63.26 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.598 ' HG3' HG22 ' A' ' 53' ' ' VAL . 3.3 ttm -42.4 -35.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -79.89 -46.37 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.737 HD22 ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -51.04 -25.44 4.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -47.47 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -11.58 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -51.32 -37.49 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.719 HD12 ' HB2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -94.15 -20.53 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.1 tt 37.9 39.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.719 ' HB2' HD12 ' A' ' 96' ' ' LEU . 38.0 mt -92.04 -27.61 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.841 HD13 ' HA ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.492 ' H3 ' ' CG2' ' A' ' 4' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.544 0.211 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -162.55 -54.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.49 -52.23 11.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.624 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -44.68 -91.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.615 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 73.08 -66.3 1.5 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -55.47 -58.29 8.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.624 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -39.26 -53.49 2.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.9 t80 -52.86 -48.43 67.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.83 -27.63 66.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.38 -64.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.23 -40.02 70.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.3 t -55.46 -49.21 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -62.09 -36.47 81.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -62.5 -56.89 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.53 -27.64 69.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -48.93 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.52 -50.77 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.52 -58.45 4.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER 54.4 103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' TYR . 3.1 tttt -40.55 155.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 101.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -78.52 -56.4 4.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.118 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.84 55.5 0.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.22 92.04 1.53 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -67.31 -51.88 31.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.417 0.716 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -74.99 56.96 4.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.676 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.3 t -119.07 -69.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.94 -60.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.6 tp -47.56 -39.94 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -57.3 -51.33 69.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.53 -58.67 12.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -46.15 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 38' ' ' LEU . 35.3 t80 -56.5 -58.79 6.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 31' ' ' ALA . 77.1 t -46.57 -38.05 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.55 -34.49 56.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -40.57 95.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.676 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.63 -44.95 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' ' SD ' ' A' ' 89' ' ' MET . . . -54.3 -44.06 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.49 -64.34 2.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -45.37 -24.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -89.36 -41.44 5.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.523 ' HB1' ' NH2' ' A' ' 93' ' ' ARG . . . -73.53 -5.85 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -36.63 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.58 1.71 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -90.12 -14.53 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.517 ' HB2' ' HB1' ' A' ' 43' ' ' ALA . 47.1 t -78.35 141.05 38.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 47' ' ' SER . 5.1 m-20 158.21 -67.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.3 10.26 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HD2' HG22 ' A' ' 46' ' ' VAL . 13.2 mttt -91.08 -171.7 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.35 163.66 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -129.65 -68.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 77.7 t -96.15 -11.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -64.89 -36.04 83.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.441 ' O ' ' CB ' ' A' ' 59' ' ' THR . 11.4 p -73.28 -38.29 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -57.8 -60.01 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.66 -62.02 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 54.0 t80 -43.08 -35.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.0 m -69.14 -56.88 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.454 ' HB3' HD22 ' A' ' 86' ' ' LEU . . . -52.22 -41.44 62.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -46.44 87.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -43.43 -43.75 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 69' ' ' VAL . . . -58.17 -64.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 m -44.21 -29.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mm -78.97 -79.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -64.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.61 44.58 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.985 HG21 ' HG ' ' A' ' 82' ' ' LEU . 18.8 t -66.34 -30.65 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.2 167.44 19.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -38.45 112.07 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -117.96 -57.7 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -59.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.56 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -77.46 60.05 2.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.237 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -82.39 52.79 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.9 -30.7 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.491 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER -46.97 -50.93 43.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.846 ' HB3' HG22 ' A' ' 69' ' ' VAL . 18.1 Cg_endo -75.1 55.54 4.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.802 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -86.04 -42.09 14.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.92 65.26 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.985 ' HG ' HG21 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -58.46 -73.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.56 -53.52 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -47.81 -31.91 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.48 -52.45 7.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -45.5 -45.22 13.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 90' ' ' MET . 18.9 m -67.76 -58.99 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' C ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -45.04 -25.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.461 ' SD ' ' CB ' ' A' ' 39' ' ' ALA . 1.4 ttp -80.54 -52.62 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -55.27 -21.65 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.92 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -91.43 -44.94 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -64.4 -15.91 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' NH2' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -101.01 -50.35 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.7 -18.4 53.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -54.44 -50.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -94.63 -40.15 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.04 33.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -99.02 -31.51 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.531 0.205 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.27 -178.24 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -51.08 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.673 HD11 ' HA3' ' A' ' 7' ' ' GLY . 1.4 tt -40.58 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.651 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 87.2 -49.69 4.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -57.47 -60.17 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.673 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -50.2 -47.3 42.36 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' HG23 ' A' ' 12' ' ' VAL . 13.1 t80 -58.98 -44.28 91.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.83 64.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -63.24 -63.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.94 -42.7 80.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 8' ' ' TYR . 6.1 t -53.7 -48.96 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m -61.73 -37.56 84.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -62.64 -54.87 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -27.52 70.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -46.97 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.67 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.07 -47.39 65.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.08 57.82 2.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 49.77 92.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -54.63 110.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -179.48 48.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ARG . 2.2 ttm180 -59.63 -150.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.06 106.25 2.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.94 -72.2 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -68.84 -51.77 19.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.02 120.74 6.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.645 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 2.6 m -88.43 -20.38 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.02 -50.26 15.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 30' ' ' ILE . 3.4 tp -61.38 -32.2 52.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -59.94 -51.21 70.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.85 -55.54 29.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.46 -45.31 25.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.58 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' CG2' ' A' ' 59' ' ' THR . 3.8 t -50.44 -39.13 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.53 -37.76 58.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -52.1 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -66.21 -32.25 73.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.597 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -58.98 -43.01 91.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.85 -61.88 3.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -45.03 -35.89 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.51 -31.89 23.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -67.02 -21.16 65.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.98 -29.91 69.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.24 3.32 38.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 50' ' ' LYS . 2.4 t -78.29 0.11 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 3.7 t -39.0 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 47' ' ' SER . 3.7 t30 80.44 -71.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -160.12 -66.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.53 ' HB3' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER 49.52 -162.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -174.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -147.55 -73.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 t -106.42 -10.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -56.59 -46.57 80.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 12.2 p -64.74 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -60.34 -66.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 17.0 t80 -35.94 -36.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 35' ' ' VAL . 4.0 m -69.68 -62.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -44.37 -43.64 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.75 -48.6 78.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -67.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -43.46 -38.81 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.89 -61.17 2.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.5 m -54.75 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -43.34 -53.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 46.3 mtp -45.72 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.85 53.9 5.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.3 t -40.12 -56.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -151.06 -60.04 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 0.1 OUTLIER -56.94 -58.47 8.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 80.17 -62.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.33 47.61 1.5 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 71' ' ' PHE . 46.8 t -165.2 75.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 56.39 3.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -115.73 -65.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.4 mt -92.99 -40.15 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -45.25 -52.03 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.01 -89.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 70.74 -60.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.58 53.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 63' ' ' LEU . 7.5 tp -58.86 -64.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.62 ' HA ' HD23 ' A' ' 86' ' ' LEU . 95.5 t -55.15 -56.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.48 -31.02 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.47 -46.3 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -55.49 -42.72 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.416 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 15.2 t -64.69 -58.03 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.01 -30.1 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.488 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 1.7 ttp -68.38 -68.06 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -53.22 -19.41 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.993 ' O ' HG23 ' A' ' 95' ' ' VAL . 70.1 mt -87.7 -32.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.629 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.32 -21.36 56.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.513 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.5 -48.8 6.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.19 -17.73 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.993 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.8 t -49.0 -54.31 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -106.17 -32.21 8.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.736 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.83 32.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' LEU . 22.6 mt -82.26 -44.15 16.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.45 0.167 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.19 -60.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.81 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.595 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -40.5 -89.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.595 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 70.56 -66.6 0.78 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -55.07 -57.3 12.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -47.05 -46.2 20.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 t80 -57.79 -47.03 83.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.07 -23.72 61.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.04 -59.72 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.7 -42.07 92.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.7 t -53.08 -52.9 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -62.35 -32.85 73.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.32 -54.32 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.31 -23.61 76.3 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -51.89 44.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -65.69 -50.3 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.78 -42.07 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.12 -90.01 1.99 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' OH ' ' N ' ' A' ' 23' ' ' ARG . 9.2 t80 -47.01 109.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -59.18 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -169.3 148.26 3.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -74.7 -153.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.66 56.1 4.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.91 88.71 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -71.24 -51.62 9.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 61.2 5.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 3.9 m -117.23 -51.46 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.91 -47.16 32.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 tp -63.62 -27.93 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -67.1 -43.42 82.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.73 -54.65 24.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -43.07 63.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.5 -50.68 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.654 HG13 HG21 ' A' ' 59' ' ' THR . 16.2 t -57.83 -36.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.93 -38.95 75.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -56.49 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 35' ' ' VAL . 3.5 pp -60.23 -29.34 68.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -64.79 -60.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.6 -64.69 3.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -50.99 -34.26 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.81 -76.8 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 46' ' ' VAL . . . -43.93 -63.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 5.8 t80 68.18 -62.52 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -124.24 3.88 8.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.594 ' HB ' ' HB1' ' A' ' 43' ' ' ALA . 43.6 t -81.99 -4.05 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 93' ' ' ARG . 36.6 t -82.21 139.78 34.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.046 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 47' ' ' SER . 56.7 t30 75.03 -59.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -67.56 -10.34 50.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -155.87 -165.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.84 139.49 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.247 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -118.19 -59.0 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG21 ' HG3' ' A' ' 90' ' ' MET . 89.9 t -96.58 -12.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.52 -44.67 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.2 p -69.67 -38.58 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 t -52.59 -58.42 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -69.53 -64.1 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 18.9 t80 -37.08 -37.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.654 HG21 HG13 ' A' ' 35' ' ' VAL . 33.7 m -73.8 -60.95 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -41.34 -45.21 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CD2' ' HE3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -68.77 -44.96 72.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.21 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -45.85 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -48.54 -53.0 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -56.53 -54.13 49.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.3 mm -48.6 -63.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.5 mmt -42.4 -67.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 50.86 39.73 40.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' GLY . 65.2 t -39.75 -61.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.87 87.79 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.15 93.92 9.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 -64.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.4 ttm-85 -160.37 86.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 p -171.41 151.66 3.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -99.54 -81.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HE3' ' CD2' ' A' ' 61' ' ' PHE . 1.9 mttm -120.09 50.11 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.86 -53.53 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.476 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -51.96 -52.39 62.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.901 ' O ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 62.0 5.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.45 -51.14 69.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.14 83.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -47.44 -68.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 79' ' ' PRO . 9.7 m -54.32 -42.9 59.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.21 -32.74 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.96 -45.01 10.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -51.74 -43.06 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -72.49 -56.25 5.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -31.01 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 ttp -76.01 -65.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.444 ' HG3' HG21 ' A' ' 53' ' ' VAL . 4.6 tmm? -40.26 -33.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.5 mt -85.39 -45.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -54.59 -20.1 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 47' ' ' SER . 0.0 OUTLIER -100.16 -44.17 6.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.1 tt -58.09 -18.32 24.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.78 -60.22 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.912 HD11 HD23 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -75.95 -40.78 53.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER 33.04 39.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 96' ' ' LEU . 1.4 pp -124.38 -58.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.912 HD23 HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.507 0.194 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -145.0 117.36 8.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -87.45 -63.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.648 HG23 ' H ' ' A' ' 5' ' ' GLY . 1.5 tt -40.93 -87.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.648 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 50.71 27.55 13.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -119.86 -54.9 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.614 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -58.0 -52.99 49.06 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.54 -43.09 93.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -23.36 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -64.13 -65.12 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.39 -42.25 73.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -54.85 -47.52 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -62.16 -37.23 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.61 -54.76 30.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.43 -28.46 71.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -48.86 65.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.2 mm -69.27 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.85 -48.29 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 57.4 57.57 19.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' GLY . 59.4 t80 56.93 113.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -50.74 123.74 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 59.51 113.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -59.3 5.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.41 -156.74 26.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.51 -40.97 2.25 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -62.61 -51.9 69.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 159.63 41.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 2.3 p -105.05 -31.29 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.79 -54.8 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -55.78 -28.21 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -66.45 -51.84 52.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.469 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -59.05 -59.79 10.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.29 -54.45 8.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CD1' HD23 ' A' ' 38' ' ' LEU . 58.2 t80 -47.8 -53.68 14.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.831 HG21 HD23 ' A' ' 82' ' ' LEU . 90.0 t -55.35 -33.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.54 72.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -53.4 37.38 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -63.29 -26.63 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -63.81 -58.82 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.59 -63.71 3.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -48.52 -43.94 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -65.92 2.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.886 ' HB1' ' CG1' ' A' ' 46' ' ' VAL . . . -39.98 -66.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.527 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER 35.99 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER 86.67 -14.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.886 ' CG1' ' HB1' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -39.52 -30.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' ARG . 44.2 t -39.64 137.94 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.957 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 168.56 -70.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.08 2.96 25.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.62 29.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.15 110.99 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.48 -54.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.417 HG22 ' HB3' ' A' ' 90' ' ' MET . 64.8 t -97.77 -10.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 8.8 mttp -59.97 -48.88 79.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 8.1 p -73.25 -34.53 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -52.78 -57.41 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -72.58 -62.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.1 t80 -37.05 -41.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.571 ' CG2' HG13 ' A' ' 35' ' ' VAL . 87.1 m -72.8 -59.69 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -40.97 -43.15 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.589 ' CE2' ' NH2' ' A' ' 73' ' ' ARG . 2.4 m-85 -70.78 -44.7 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.48 -63.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.749 ' HB3' HD21 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.3 -43.95 71.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -48.63 -53.96 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -56.55 -51.28 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.99 -64.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 70' ' ' ARG . . . 59.8 54.79 34.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -40.37 -29.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 68' ' ' GLY . 0.1 OUTLIER -130.02 166.15 20.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -38.93 -63.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.47 150.26 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.589 ' NH2' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -63.29 -49.87 72.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.1 t 68.33 -66.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 80.04 41.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -115.64 -79.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.2 tt -110.18 -22.39 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -44.78 -52.22 19.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 18.3 Cg_endo -75.0 -87.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 71.4 -60.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.413 ' CA ' ' OG ' ' A' ' 28' ' ' SER . . . -74.76 -40.75 36.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -59.51 -62.07 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.643 ' HA ' HD23 ' A' ' 86' ' ' LEU . 58.4 t -56.4 -54.47 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -50.54 -29.75 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -70.9 -51.04 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -53.19 -43.6 67.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' MET . 0.3 OUTLIER -61.53 -59.11 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -30.64 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.3 ttp -66.14 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' SER . 16.8 ptm -47.78 -31.09 4.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 95' ' ' VAL . 19.3 mt -79.08 -32.32 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -72.84 -22.42 60.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.47 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -90.49 -46.4 8.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -15.34 59.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.7 t -74.48 -65.97 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -59.67 -30.73 68.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' LEU . 4.3 tt 39.2 54.62 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER 38.36 44.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 3' ' ' LEU . 4.1 ptp . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.511 0.196 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 61.01 -81.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -39.79 -50.81 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.641 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -39.9 -89.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.641 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 72.45 -70.65 1.08 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' ALA . 2.4 t80 -50.84 -53.8 29.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -50.63 -40.73 41.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -61.06 -56.24 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.34 64.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -65.42 -62.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.6 pp -58.92 -42.24 89.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.4 t -54.37 -50.31 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -62.29 -34.33 76.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.62 -51.66 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.83 -25.76 74.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -51.42 28.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.22 -63.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 21' ' ' LYS . 2.3 t80 -49.39 -46.51 47.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 51.49 56.69 14.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 41.38 93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -54.39 170.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.52 135.33 37.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -71.73 -152.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.9 -143.7 4.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.58 -76.75 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -66.17 -51.65 43.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.571 0.807 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.04 127.84 10.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 24.2 m -103.55 -33.35 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -52.67 48.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -60.46 -24.88 32.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -66.54 -57.37 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.96 -44.52 98.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -58.38 6.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -55.86 -39.91 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.71 HG21 HD13 ' A' ' 63' ' ' LEU . 2.9 t -61.22 -34.2 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.14 -42.54 50.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -49.15 78.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -68.52 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -58.75 -43.92 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.99 -59.07 4.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -48.17 -31.74 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -87.56 -36.36 8.73 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.491 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . . . -56.54 -34.31 66.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.14 -24.29 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.94 -13.47 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -73.42 -17.56 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 43.9 t -38.62 140.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' SER . 16.6 t-20 82.08 -54.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -74.33 -11.29 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 46' ' ' VAL . 4.4 mttt 179.45 132.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' CG ' ' H ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -40.6 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' H ' ' CG ' ' A' ' 51' ' ' ARG . 16.1 t0 170.67 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -89.21 -15.67 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.9 tttt -59.7 -46.15 89.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.9 p -70.73 -36.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -56.71 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -74.1 -63.32 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 9.0 t80 -36.4 -38.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 96.7 m -75.77 -60.89 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -40.43 -46.19 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -43.51 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -57.13 -63.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -55.29 -48.73 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' HB1' ' HB ' ' A' ' 69' ' ' VAL . . . -47.92 -42.24 26.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -73.21 -39.87 65.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.01 -59.21 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 ttp -69.07 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.33 42.95 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.564 ' HB ' ' HB1' ' A' ' 64' ' ' ALA . 87.6 t -74.46 -58.02 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.572 0.807 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.26 97.56 8.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -162.19 -53.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.12 97.81 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -40.65 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.58 103.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.84 56.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.21 52.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.5 mt -116.35 -40.33 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -48.71 -51.85 50.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.561 ' HG2' HG13 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.95 54.73 3.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.643 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -81.89 -44.15 17.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.45 -19.19 59.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD23 HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -59.3 -79.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.773 HG23 HD23 ' A' ' 82' ' ' LEU . 49.1 t -64.66 -48.96 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -52.3 -30.74 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -51.54 9.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -49.2 -44.31 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -66.19 -54.0 30.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -20.83 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -67.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -50.67 -22.11 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.2 tp -90.03 -42.27 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -30.01 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.649 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -94.23 -50.42 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 90' ' ' MET . 3.5 tp -55.22 -19.86 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.7 t -72.63 -76.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -40.56 -32.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.3 tt 39.13 52.52 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.643 HD21 HH12 ' A' ' 93' ' ' ARG . 0.2 OUTLIER 38.1 44.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.479 0.181 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 45.32 91.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' A' ' 1' ' ' MET . 3.9 mm? -114.52 -56.49 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.785 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -47.81 -85.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.678 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 80.32 -57.62 4.66 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' ALA . 11.2 t80 -56.51 -61.61 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.785 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -39.0 -48.9 2.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -56.6 -45.7 81.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.32 -26.58 60.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -69.52 -55.21 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.83 -43.36 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.91 -49.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -63.88 -32.34 73.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -65.18 -52.47 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.75 77.18 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -53.82 20.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.78 -57.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.15 -35.05 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.55 -62.69 4.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -43.95 105.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -54.57 124.41 16.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -132.29 49.88 2.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.5 ttm-85 -93.46 -64.61 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.04 49.58 6.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.47 48.37 44.7 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -75.93 -52.09 2.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.0 -170.58 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 2.8 m -105.51 -35.13 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -54.82 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 tp -55.3 -33.25 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -59.9 -53.4 58.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.52 -49.23 70.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -42.44 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.22 -49.89 75.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.777 HG13 ' CG2' ' A' ' 59' ' ' THR . 99.3 t -54.73 -38.97 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.87 -37.59 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -54.54 45.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.746 HD11 HG21 ' A' ' 59' ' ' THR . 4.6 pp -62.67 -34.83 77.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.576 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -57.18 -42.12 80.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.8 -59.63 5.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -45.83 -32.98 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.07 -32.62 12.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . . . -63.82 -24.19 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 0.721 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -61.19 -27.92 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -105.95 3.13 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.508 ' HA ' ' CB ' ' A' ' 50' ' ' LYS . 2.8 t -76.53 -0.45 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.0 t -38.95 158.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 47' ' ' SER . 2.1 t30 77.76 -72.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -159.46 -67.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 49.27 -162.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' NH2' HG23 ' A' ' 55' ' ' VAL . 2.2 mtp180 -70.84 156.05 40.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -112.8 -88.09 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.5 t -98.35 -10.87 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -49.57 -46.71 49.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.586 HG23 ' NH2' ' A' ' 51' ' ' ARG . 14.6 p -67.87 -37.56 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.62 -64.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -62.93 -64.44 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 64.8 t80 -36.35 -43.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.777 ' CG2' HG13 ' A' ' 35' ' ' VAL . 20.9 m -66.55 -58.49 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -45.89 -41.03 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -61.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.8 OUTLIER -57.03 -40.67 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -56.35 -56.36 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.7 m -56.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.0 mt -40.3 -53.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 3.1 mmt -48.57 -68.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.13 44.52 83.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -43.82 -48.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.59 159.91 33.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.44 102.14 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 156.65 31.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -41.93 -54.83 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.23 139.79 24.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -86.26 59.36 5.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -7.59 11.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 78' ' ' MET . 1.0 OUTLIER -117.42 -50.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.479 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -47.88 -52.66 37.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 55.52 4.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . -56.42 -52.57 64.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.45 -52.58 25.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -45.42 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.659 ' HA ' HD23 ' A' ' 86' ' ' LEU . 17.1 t -47.22 -55.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -41.89 -34.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.22 14.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -54.52 -37.76 65.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 t -72.48 -56.04 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -31.2 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.1 ttp -76.38 -54.06 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.06 -30.68 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.3 tt -85.91 -40.76 14.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.666 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -62.14 -18.5 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.642 ' NH1' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -98.38 -47.03 5.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -64.45 -14.54 57.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 91' ' ' ILE . 4.1 t -72.94 -64.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.642 HD21 ' NH1' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -46.6 -31.66 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER 37.33 38.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER 37.94 38.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.516 0.198 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.39 -57.62 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -59.95 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.596 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -41.69 -88.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 71.71 -69.9 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -71.49 -52.04 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.701 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -41.61 -42.77 3.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.2 t80 -56.52 -59.33 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 -21.7 63.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -63.8 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -54.98 -39.91 69.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' TYR . 97.0 t -55.31 -48.76 76.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -62.52 -37.15 84.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.28 -53.75 50.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -25.89 72.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -52.23 46.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.3 -63.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -42.2 -51.55 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.618 ' C ' ' CD1' ' A' ' 20' ' ' TYR . . . 51.08 48.02 47.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.118 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.627 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 36.4 p90 34.72 91.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -53.39 165.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.59 76.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.06 -172.16 48.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.82 90.5 0.23 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -56.16 -51.65 79.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.98 55.29 3.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.723 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 46.6 t -119.78 -40.09 2.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.07 -63.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.543 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -41.2 -37.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -62.57 -57.94 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.22 -53.76 40.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.127 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.0 -63.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.618 ' CD1' HD21 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -44.78 -58.37 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.576 ' CG2' HD12 ' A' ' 82' ' ' LEU . 35.3 t -44.34 -40.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.21 -45.94 83.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -42.09 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.749 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.69 -39.94 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.96 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.69 -61.19 4.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -42.63 -37.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.86 -38.85 9.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.34 -18.23 57.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -86.52 -29.12 22.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -80.51 0.58 33.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -60.77 -15.3 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.74 11.18 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -147.96 -62.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -75.54 -21.28 58.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.1 tttt 49.8 31.39 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.12 174.91 1.01 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.93 -78.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -104.12 -10.77 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -47.81 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.2 p -64.01 -30.13 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -57.64 11.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.23 -57.81 10.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -50.84 -29.8 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 HD12 ' A' ' 38' ' ' LEU . 1.4 m -71.01 -52.58 18.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.894 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . -56.68 -45.27 81.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.36 -31.44 70.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -71.96 -66.8 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 82' ' ' LEU . 7.8 tp -52.87 -35.61 57.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -60.78 -65.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -51.23 -57.43 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.2 mm -46.96 -60.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtt -43.3 -66.53 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 60.68 16.1 43.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.596 HG21 ' HG2' ' A' ' 78' ' ' MET . 63.1 t -40.37 -63.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -159.38 107.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -84.4 81.26 8.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.94 -77.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -173.86 116.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 t -107.48 169.14 8.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.77 46.64 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.77 58.1 5.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 78' ' ' MET . 3.0 mt -108.0 -84.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.596 ' HG2' HG21 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -65.39 -50.55 57.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.702 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 18.3 Cg_endo -74.97 -161.4 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 85.95 -56.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.99 96.51 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 60' ' ' ALA . 10.2 tp -56.98 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.951 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.6 t -47.1 -47.9 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -52.47 -31.37 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -75.01 -51.72 7.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.951 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -50.02 -38.85 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -70.33 -58.7 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -47.47 -24.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.403 ' N ' ' C ' ' A' ' 87' ' ' SER . 1.9 ttp -78.79 -61.37 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.5 ppp? -48.34 -27.01 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.824 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -87.52 -41.23 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -58.95 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -56.6 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -23.08 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.1 t -60.8 -64.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -47.49 -31.26 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.0 tt 39.34 53.21 2.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER 38.03 43.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.535 0.207 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -158.75 149.28 19.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -62.12 1.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.621 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -44.32 -89.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.621 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 72.65 -59.53 1.65 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -60.65 -58.85 6.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.76 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.758 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -49.41 -49.86 31.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -52.81 -56.57 14.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.14 62.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -67.9 -65.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.89 -39.52 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -54.63 -52.69 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -61.58 -33.46 73.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.47 -51.33 63.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.06 -25.1 75.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -52.84 22.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -69.23 -60.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -51.04 -39.86 56.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.48 -80.91 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 43.35 50.13 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 0.725 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -45.42 130.94 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -179.31 67.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -158.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.21 153.04 23.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.55 46.9 7.66 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -73.91 -51.57 4.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.616 ' CG ' HD13 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.95 -169.96 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.734 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 8.9 m -115.51 -55.38 2.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -43.98 -64.0 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.616 HD13 ' CG ' ' A' ' 27' ' ' PRO . 4.3 mp -49.13 -30.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -69.12 -36.18 77.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -70.16 -50.89 25.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -41.33 81.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.43 -45.91 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 HD11 ' A' ' 63' ' ' LEU . 14.9 t -59.52 -35.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -68.99 -45.74 61.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.41 -55.37 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.38 -34.13 73.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -57.49 -45.66 84.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.94 -62.13 4.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -43.86 -39.85 4.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -79.66 -33.84 33.16 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . . . -57.15 -36.83 71.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.587 ' CZ ' HD13 ' A' ' 96' ' ' LEU . 1.4 m-85 -56.7 -29.53 62.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 -20.24 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -68.42 -13.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' VAL . 44.4 t -37.9 137.28 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 47' ' ' SER . 1.1 m-20 163.62 -70.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -74.77 -12.29 60.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 6.2 tptt 86.25 29.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -66.58 142.98 57.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.52 -66.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.478 HG22 ' CB ' ' A' ' 90' ' ' MET . 49.1 t -109.89 -10.74 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -50.3 -52.99 31.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.1 p -62.99 -33.43 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.08 -64.56 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -40.24 -33.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.5 m -70.42 -60.65 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.915 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -44.57 -44.57 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.38 -46.87 84.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -65.12 -68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -44.17 -37.06 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.04 -68.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -53.61 -60.47 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 62' ' ' PHE . 73.6 mt -42.81 -54.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 2.9 mmt -48.85 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 48.37 42.65 26.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.518 HG11 ' SD ' ' A' ' 78' ' ' MET . 88.7 t -40.42 -57.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.61 -59.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.52 -48.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.22 79.98 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.99 -45.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.8 p -136.8 146.41 45.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.52 52.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -72.38 60.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.85 -51.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.518 ' SD ' HG11 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -54.07 -53.87 53.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 55.18 3.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.693 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -73.81 -48.82 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.83 -25.21 63.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.915 HD23 ' HA ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -57.93 -78.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.678 ' HA ' HD23 ' A' ' 86' ' ' LEU . 71.5 t -63.24 -56.6 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -46.33 -31.53 2.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.77 -52.53 11.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -50.74 -42.66 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.43 4.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -28.73 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.2 ttp -68.64 -67.19 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' HG22 ' A' ' 53' ' ' VAL . 6.0 ptm -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 95' ' ' VAL . 10.4 mm -80.62 -39.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -78.77 -12.48 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.826 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -90.15 -52.68 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.9 tt -57.23 -18.24 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 91' ' ' ILE . 7.0 t -73.59 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -46.66 -30.92 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER 37.24 38.86 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER 37.38 34.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.271 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.465 0.174 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.24 125.37 29.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -68.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.602 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -42.4 -90.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.6 -44.43 3.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -57.98 -57.65 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.5 93.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.706 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 t80 -59.48 -47.59 84.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.54 63.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.43 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.01 -41.71 83.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 8' ' ' TYR . 17.3 t -55.42 -48.92 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -63.02 -34.03 76.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -65.34 -53.24 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.37 -26.17 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -51.07 46.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.08 -61.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 21' ' ' LYS . 2.2 t80 -44.9 -50.15 10.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.19 57.68 3.01 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 47.81 90.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 2.3 tttt -49.1 133.17 18.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -117.92 92.55 3.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -44.29 60.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.03 153.07 35.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.3 -81.57 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -71.87 -51.1 9.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.98 131.0 13.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.542 ' OG ' HD12 ' A' ' 82' ' ' LEU . 12.5 t -91.96 -31.61 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -56.73 18.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -30.93 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.33 94.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.7 -49.06 66.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -53.14 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -53.53 -51.27 63.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 ' CG1' HG21 ' A' ' 59' ' ' THR . 2.4 t -50.89 -40.89 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -28.64 68.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -50.98 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -42.17 89.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.29 67.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.31 -52.55 39.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -52.36 -30.47 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 44' ' ' TYR . . . -81.13 -67.33 1.54 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 47' ' ' SER . . . -41.68 -28.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.42 ' N ' ' C ' ' A' ' 42' ' ' GLY . 3.7 t80 -36.84 -60.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.82 -0.32 7.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.63 -11.78 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 29.5 t -63.87 148.44 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 47' ' ' SER . 1.1 t-20 77.62 -58.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -67.62 -10.78 55.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -155.91 -177.51 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.61 173.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' OD2' ' CB ' ' A' ' 47' ' ' SER . 6.9 m-20 -160.61 -65.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.86 HG22 ' HA ' ' A' ' 90' ' ' MET . 69.6 t -91.48 -29.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 8.3 mttt -60.19 -42.23 94.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.1 p -70.98 -31.76 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.412 ' OG ' ' CB ' ' A' ' 89' ' ' MET . 0.3 OUTLIER -58.56 -54.06 51.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.66 -60.12 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 6.9 m-85 -44.49 -39.68 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.54 HG21 ' CG1' ' A' ' 35' ' ' VAL . 20.7 m -69.33 -55.62 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.7 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -48.48 -43.15 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -37.64 79.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -67.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.772 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -49.22 -40.47 33.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -58.21 -51.99 67.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -57.59 -53.43 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.42 -63.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.65 -61.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.66 28.41 1.61 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.426 1.079 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.8 t -41.56 -53.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.11 92.26 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -56.75 134.52 55.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -136.65 173.7 11.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 74' ' ' SER . 26.0 ptt180 -83.36 -24.59 31.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 73' ' ' ARG . 4.4 p 165.86 72.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -116.81 -52.25 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.38 42.89 29.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.3 tt -104.27 -13.86 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -74.11 -52.37 4.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -74.96 55.35 3.9 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -53.83 -53.85 46.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.66 -31.96 47.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.772 HD21 ' CB ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -58.77 -61.72 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.66 -50.43 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -49.43 -32.1 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.43 -47.03 13.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -50.36 -44.94 54.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 1.8 m -68.91 -51.83 35.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -39.89 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.654 ' SD ' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -71.93 -61.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.86 ' HA ' HG22 ' A' ' 53' ' ' VAL . 1.6 ttm -47.18 -25.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 95' ' ' VAL . 18.8 mt -86.91 -46.56 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.654 HD22 ' SD ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -52.63 -27.5 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 -47.98 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.21 -16.05 29.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.3 t -69.08 -44.49 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -92.66 24.99 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.619 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.0 tt 37.51 41.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 97' ' ' LEU . 2.3 pp 35.73 35.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.524 0.202 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.31 161.56 8.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.2 -75.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.597 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.7 OUTLIER -41.86 -89.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 75.92 -57.42 3.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -58.0 -61.56 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.59 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -52.71 -40.42 56.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.842 ' O ' HG23 ' A' ' 12' ' ' VAL . 37.4 t80 -60.31 -54.36 46.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.24 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.89 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.46 -39.05 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 8' ' ' TYR . 65.1 t -54.8 -50.73 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -61.97 -37.32 84.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.29 -55.03 36.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.83 -25.71 71.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -46.4 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.76 -62.69 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -50.33 7.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.97 -48.36 0.95 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 57.04 43.59 24.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.63 -72.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.96 37.21 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -151.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.54 160.3 1.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.07 79.81 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -73.55 -51.76 5.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 171.95 17.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -107.1 -28.71 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -44.79 66.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -68.36 -23.09 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -67.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.9 94.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -45.19 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.49 -45.21 94.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.723 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 86.4 t -64.83 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.34 -40.33 80.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -65.54 -57.92 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.42 -24.38 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -65.86 -53.39 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.29 -62.3 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -53.14 -49.6 66.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.98 -53.23 44.52 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -44.04 -55.0 5.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.5 t80 54.07 19.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.2 3.28 9.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' A' ' 51' ' ' ARG . 95.9 t -62.82 -13.72 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.54 10.53 29.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -98.37 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.41 0.6 56.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.4 tttt 69.95 29.93 3.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HB2' HG13 ' A' ' 46' ' ' VAL . 3.7 mtm180 -54.75 -179.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.64 -70.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 90' ' ' MET . 18.5 t -107.31 -11.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -56.64 -50.59 71.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.9 p -63.68 -30.23 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -59.34 -60.1 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.628 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -59.2 -61.55 2.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.27 -33.14 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.9 m -69.9 -55.26 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.711 ' O ' HD11 ' A' ' 82' ' ' LEU . . . -53.17 -44.32 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.78 95.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.424 ' HD2' HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.36 -55.97 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -36.5 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.596 ' HB2' HD21 ' A' ' 82' ' ' LEU . . . -63.61 -61.05 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 62' ' ' PHE . 6.4 t -62.25 -12.19 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 67' ' ' MET . 27.1 mt -83.42 -72.23 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.465 ' N ' HG22 ' A' ' 66' ' ' ILE . 3.7 mtm -78.93 -50.14 11.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.8 37.39 0.67 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.974 HG11 ' HB2' ' A' ' 82' ' ' LEU . 48.0 t -56.57 -66.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.63 110.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.35 -51.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.04 179.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -127.2 126.11 42.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m 178.52 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 77' ' ' ILE . 34.8 mttt -78.59 -46.39 19.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mttt 64.46 48.12 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 75' ' ' LYS . 18.0 mt -108.38 -69.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -74.51 -51.68 4.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.799 ' HA ' HG13 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.01 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.691 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 77.81 -58.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.43 56.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.974 ' HB2' HG11 ' A' ' 69' ' ' VAL . 3.6 tp -53.09 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HA ' HD23 ' A' ' 86' ' ' LEU . 81.6 t -66.67 -61.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -39.96 -33.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.05 -52.93 8.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.04 -43.51 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' HD12 ' A' ' 86' ' ' LEU . 1.4 t -67.52 -57.34 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -46.12 -25.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' SER . 2.0 ttp -79.0 -63.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.822 ' HE3' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -45.88 -26.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.822 HD12 ' HE3' ' A' ' 90' ' ' MET . 0.4 OUTLIER -89.49 -41.65 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.676 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.98 -25.06 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.599 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.11 -50.26 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.3 tt -51.98 -22.19 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 96' ' ' LEU . 2.3 t -65.99 -65.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -71.26 -44.64 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.87 32.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -105.15 -36.7 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' HB3' ' NH2' ' A' ' 93' ' ' ARG . 2.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.538 0.209 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.51 -58.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.25 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.617 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -44.25 -90.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.617 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 67.77 -67.74 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' ILE . 5.6 t80 -64.25 -50.96 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -40.58 -54.87 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -45.6 -58.6 3.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.05 66.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.73 -65.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -54.84 -41.2 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.87 -46.36 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -61.06 -54.51 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.68 -28.49 71.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -49.34 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.31 -67.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.96 -53.36 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.93 57.61 10.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 42.88 93.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -55.57 157.01 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.74 88.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -67.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.31 179.66 29.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.093 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.26 93.26 0.56 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -64.0 -51.79 60.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.97 56.11 4.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.677 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 13.1 m -119.26 -67.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -61.16 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -41.63 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -53.29 -64.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.58 -58.13 13.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CD2' HD23 ' A' ' 38' ' ' LEU . 5.2 t80 -50.07 -49.89 49.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.984 HG22 ' CG2' ' A' ' 59' ' ' THR . 57.9 t -57.63 -31.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.14 60.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -57.52 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 59' ' ' THR . 2.6 pp -60.11 -33.24 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.713 ' HB1' ' SD ' ' A' ' 89' ' ' MET . . . -56.29 -54.53 44.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.15 -52.21 53.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 6.0 t80 -51.62 -32.85 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.35 -55.78 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.94 -12.88 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.539 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 2.0 t80 -64.51 99.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 0.0 OUTLIER 88.06 -23.4 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 0.9 OUTLIER 71.19 3.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.94 11.31 39.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.027 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 41' ' ' TYR . 5.6 m-20 -98.44 -77.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.19 11.32 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.8 tttt 55.25 -113.57 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -45.78 171.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.557 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.5 m-20 -109.81 -61.22 1.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.4 t -48.76 -25.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.58 -39.12 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -79.26 -27.56 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.456 ' HB3' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -64.82 -53.12 51.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.031 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -69.32 -50.35 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -55.15 -29.97 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.984 ' CG2' HG22 ' A' ' 35' ' ' VAL . 2.8 m -75.11 -53.92 8.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.922 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -52.55 -46.25 66.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HD23 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -63.54 -47.82 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.511 ' CE2' HG13 ' A' ' 66' ' ' ILE . 60.8 t80 -62.54 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.606 ' HB3' HD21 ' A' ' 82' ' ' LEU . 1.1 tp -41.59 -43.96 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -55.39 -49.19 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' PHE . 1.7 m -64.18 -56.9 11.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.511 HG13 ' CE2' ' A' ' 62' ' ' PHE . 4.1 mm -44.09 -55.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -57.36 13.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 76.33 28.6 59.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 ' HD3' ' A' ' 79' ' ' PRO . 21.2 t -40.34 -59.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.79 139.41 11.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -90.31 81.34 6.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -168.8 105.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -73.4 59.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 t -153.51 -63.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.82 -73.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttm 39.97 53.76 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.3 tt -89.95 -39.5 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.49 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -79.25 -51.63 1.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.729 ' HD3' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.93 56.97 4.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -87.49 -41.97 13.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.69 -26.61 71.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.922 HD22 ' HA ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -60.44 -74.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.64 -55.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -48.14 -30.95 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.82 -49.41 17.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.423 1.077 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.33 -46.11 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.446 ' N ' HD12 ' A' ' 86' ' ' LEU . 15.9 m -61.95 -58.66 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.89 -22.06 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.713 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -74.04 -64.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 5.7 ptp -49.84 -34.39 19.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.939 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -81.9 -32.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -66.18 -25.45 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.436 ' CD ' HD21 ' A' ' 98' ' ' LEU . 6.1 mmt-85 -93.47 -44.94 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -63.02 -13.77 39.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.4 t -48.67 -50.52 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.659 HD11 ' CD2' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -97.45 23.75 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.4 tt 35.97 48.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.659 ' CD2' HD11 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -98.57 -44.28 6.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptt? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.5 0.191 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -63.13 117.52 6.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -102.73 -60.02 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.715 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -47.69 -95.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.593 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.86 -44.36 3.34 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.17 -62.42 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.779 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.779 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -44.58 -50.05 8.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.7 t80 -50.04 -56.93 8.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -20.02 63.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -40.95 78.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 8' ' ' TYR . 53.9 t -55.45 -49.59 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -62.85 -33.59 75.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.459 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.84 -53.03 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.85 -25.17 74.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -56.15 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.08 -56.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -47.27 -47.0 25.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.68 -63.8 2.96 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 54.89 166.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -55.73 158.04 3.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.9 158.15 28.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -76.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.14 168.14 35.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.469 ' HA2' ' CZ ' ' A' ' 70' ' ' ARG . . . 70.01 86.86 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -56.02 -51.72 78.3 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.01 54.37 3.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 29.3 m -120.54 -67.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -49.34 -64.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tp -41.78 -39.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -61.58 -48.78 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -64.94 -60.0 7.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -47.01 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -60.23 -53.42 57.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.882 HG21 HD13 ' A' ' 82' ' ' LEU . 69.0 t -55.04 -31.49 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.78 -35.3 40.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -41.36 89.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -73.38 -35.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.15 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.08 -51.26 59.57 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.02 -27.82 67.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.58 -74.64 0.89 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.79 -57.0 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.744 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 30.1 t80 60.09 96.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 7.1 ttt180 88.06 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 46' ' ' VAL . 21.3 t 63.18 11.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' VAL . 1.8 t -45.99 171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -71.4 71.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -157.34 -45.01 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -106.73 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' CD ' ' HB ' ' A' ' 55' ' ' VAL . 1.1 ptm180 -67.35 -177.13 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.58 -78.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.6 t -105.06 -11.0 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -55.02 -42.46 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.2 p -70.2 -36.9 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.48 -56.71 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' PHE . 2.1 tt -72.2 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 37.1 t80 -36.91 -42.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 87.0 m -70.79 -58.38 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 1.013 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -42.89 -42.2 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -46.72 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.83 -65.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.802 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -48.13 -50.09 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -46.18 -64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -45.18 -42.9 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.63 -73.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.0 mtt -43.55 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.22 28.18 25.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.04 -79.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.469 ' CZ ' ' HA2' ' A' ' 25' ' ' GLY . 2.6 tpt180 -43.16 136.68 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -109.37 -35.96 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.69 -156.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -134.58 122.61 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -109.76 -65.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -83.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.88 ' HD2' HG11 ' A' ' 83' ' ' VAL . 5.9 mttm -91.26 -91.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -122.39 -101.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.589 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -82.97 -57.7 0.43 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.94 86.02 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . -83.53 -47.62 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.5 -37.56 27.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -59.31 -59.54 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.88 HG11 ' HD2' ' A' ' 76' ' ' LYS . 76.0 t -61.06 -49.65 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -49.56 -32.62 12.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.2 -52.2 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -50.02 -37.52 33.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -53.42 16.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.33 -24.08 41.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -75.97 -68.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' HD12 ' A' ' 91' ' ' ILE . 1.4 ptm -49.97 -24.66 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.904 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -88.25 -35.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -25.55 67.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -46.14 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.2 -16.68 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.0 t -41.15 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -93.32 -28.63 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.3 tt 36.72 39.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' HB2' HD12 ' A' ' 96' ' ' LEU . 15.5 mt -95.76 -44.58 7.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.491 0.186 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.55 98.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -77.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.583 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -42.76 -89.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.583 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 84.11 -47.13 3.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.155 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.24 -57.31 13.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.587 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -53.43 -51.09 49.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.7 t80 -48.39 -50.52 30.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 0.808 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.81 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.37 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.61 -41.09 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.9 t -52.93 -52.8 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -61.73 -34.65 76.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.88 -55.44 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.18 -24.78 73.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.59 46.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.88 -53.43 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.78 -37.39 29.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.22 -78.53 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 57.12 95.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -56.47 166.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -165.09 31.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -150.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.73 153.24 13.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.538 1.149 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.0 73.38 0.07 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -68.03 -51.73 26.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.02 147.64 34.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.802 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.587 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 22.1 t -114.78 -35.74 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 pp -48.51 -45.07 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.429 HG22 ' HB2' ' A' ' 27' ' ' PRO . 1.4 tp -67.14 -26.32 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -66.79 -55.31 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.74 93.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.22 -41.9 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.1 -47.4 86.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.63 -37.19 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.27 -34.05 61.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -51.11 56.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -63.16 -34.05 76.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.79 -58.06 10.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.21 -67.2 2.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -45.97 -31.21 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.69 -77.33 0.63 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB1' ' HB ' ' A' ' 46' ' ' VAL . . . -42.4 -62.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 54.55 44.81 28.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 166.87 -30.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.573 ' HB ' ' HB1' ' A' ' 43' ' ' ALA . 67.4 t -66.82 -10.74 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -89.71 143.68 26.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 t30 70.64 -62.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -69.47 -9.16 52.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.73 -163.15 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.18 142.78 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -124.39 -65.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.766 HG22 ' HB2' ' A' ' 90' ' ' MET . 19.3 t -93.41 -15.35 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 2.1 mmtt -57.84 -48.81 78.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.6 p -65.51 -33.2 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.43 -60.24 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -63.07 -63.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 7.7 m-85 -40.88 -36.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.2 m -67.1 -58.81 4.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.536 ' O ' HD21 ' A' ' 82' ' ' LEU . . . -47.98 -43.25 29.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -41.87 95.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.437 ' O ' HG22 ' A' ' 65' ' ' THR . 1.6 t80 -67.48 -65.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.97 -42.52 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.71 80.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -71.28 -9.51 58.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 mm -89.87 -70.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -44.08 62.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.15 18.03 18.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 79' ' ' PRO . 89.6 t -40.37 -73.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -74.73 95.57 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -132.37 -57.68 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 173.97 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 -82.42 89.55 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.0 t -96.69 170.87 8.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.9 55.51 3.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt 43.52 54.05 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 78' ' ' MET . 5.5 mt -99.18 -76.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.526 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -70.46 -49.9 15.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 18.3 Cg_endo -74.98 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 86.06 -61.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.0 -24.86 52.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD21 ' O ' ' A' ' 60' ' ' ALA . 1.5 tp -60.37 -83.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.626 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -55.13 -45.02 77.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -54.96 -30.54 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.71 -47.65 19.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -53.7 -42.73 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.2 m -68.06 -53.76 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -24.13 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.49 -62.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.766 ' HB2' HG22 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -56.19 -21.15 21.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 95' ' ' VAL . 16.9 mt -86.22 -40.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.647 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -64.62 -27.76 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.709 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.3 -48.87 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -15.43 58.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -75.3 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -52.37 -32.39 38.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.0 tt 39.98 54.43 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.22 40.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.505 0.193 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -158.62 149.08 19.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.374 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ILE . 4.9 mt -48.88 -63.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.697 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -46.49 -93.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 76.4 -57.02 3.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -56.67 -57.59 11.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.697 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -46.25 -52.94 9.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.725 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.7 t80 -47.73 -50.96 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.67 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -62.58 -63.68 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.84 -43.22 76.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 8' ' ' TYR . 24.9 t -53.92 -48.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -61.89 -36.74 82.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -64.12 -52.65 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.74 -27.37 71.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -50.39 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.5 mm -67.24 -66.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -42.58 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.09 -74.71 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.11 93.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 122.55 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -156.97 88.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -58.21 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.7 -142.86 8.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.37 59.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -65.34 -51.77 50.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.01 -174.61 2.0 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.849 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 62.2 m -105.69 -32.45 8.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -62.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.948 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -52.58 -21.76 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -70.06 -56.76 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.44 -39.84 97.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -61.45 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.28 -52.14 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 59' ' ' THR . 55.3 t -52.96 -39.14 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.52 -29.13 66.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.76 30.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -36.27 78.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -58.13 -44.11 87.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.3 -53.71 10.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -49.84 -31.28 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 48' ' ' ASN . . . -84.72 -53.07 3.3 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' TYR . . . -47.07 -28.98 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -36.29 -66.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -84.01 -19.12 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER 77.32 -1.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.01 11.47 27.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' HB2' ' CA ' ' A' ' 42' ' ' GLY . 28.6 t30 -83.12 -70.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.61 14.39 6.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.2 mttt 72.1 -92.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 58' ' ' PHE . 2.9 mtp180 -39.74 153.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -115.24 -65.31 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.1 t -88.64 -25.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.5 p -72.41 -37.07 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.43 -59.73 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.55 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 93.4 t80 -37.37 -38.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.598 HG21 HG11 ' A' ' 35' ' ' VAL . 20.0 m -70.57 -60.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -41.18 -42.74 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.81 -42.69 73.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -63.51 -63.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -53.36 -40.81 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -53.44 -54.17 40.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' ILE . 1.3 m -62.64 -59.76 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' THR . 8.9 mm -39.96 -50.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.73 35.31 11.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.764 HG11 ' HD3' ' A' ' 79' ' ' PRO . 97.6 t -59.79 -29.72 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.93 105.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.479 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 5.9 t80 -166.44 50.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 71' ' ' PHE . 1.5 mttp 168.27 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 58.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m 167.59 123.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -111.48 -49.49 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.43 57.74 4.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 78' ' ' MET . 1.4 tp -119.56 -56.02 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.534 ' N ' HG23 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -79.72 -52.36 1.09 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.764 ' HD3' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.94 55.68 3.99 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -73.99 -47.32 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.29 -13.78 60.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.749 HD23 HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -62.48 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.749 HG13 HD23 ' A' ' 82' ' ' LEU . 2.6 m -65.45 -38.39 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.26 -30.57 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.06 -47.53 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.677 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -56.04 -37.04 68.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -71.94 -51.15 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -56.5 -24.01 43.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -70.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -48.95 -24.57 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -87.44 -42.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -55.8 -30.07 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.505 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -92.6 -44.5 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.37 -15.23 63.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.3 t -75.82 -67.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -51.27 -31.1 20.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.515 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.8 tt 39.11 52.1 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.78 43.42 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 ttt . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.473 0.178 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 54.46 94.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -70.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.611 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -45.05 -91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.611 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 84.61 -50.54 4.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.83 -56.53 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.08 -50.83 57.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.618 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.6 t80 -51.66 -50.18 60.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.62 77.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.5 -64.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.8 pp -53.09 -39.67 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.4 t -56.61 -47.48 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -62.78 -36.31 82.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.67 -54.27 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.38 -27.69 71.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -47.36 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -69.25 -68.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.03 -45.03 61.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . 108.1 -45.28 1.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER 168.02 107.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -49.55 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 179.81 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -81.53 -154.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.85 84.26 1.79 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.12 72.42 0.88 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -59.79 -51.46 80.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.03 52.39 3.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.517 1.799 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 20.7 m -119.99 -59.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.057 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -63.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -40.93 -37.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -63.13 -61.1 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.85 -60.0 9.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.31 -57.16 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -48.88 -52.73 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.12 -31.57 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.67 -32.63 59.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.94 67.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -68.39 -32.49 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB1' ' SD ' ' A' ' 89' ' ' MET . . . -64.89 -55.52 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.43 -51.09 60.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -60.06 -30.28 69.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.66 -74.46 0.78 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 44' ' ' TYR . . . -53.95 -59.0 5.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 2.2 t80 69.14 -59.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -121.63 -1.05 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER 77.0 -1.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.6 170.88 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 t30 70.32 -69.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -9.65 58.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 60.83 -108.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -46.38 162.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 3.6 t0 -114.81 -41.73 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.37 -11.18 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 15.2 tttt -67.36 -44.9 77.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 52' ' ' ASP . 1.4 p -74.62 -34.93 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -56.06 -57.49 11.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.676 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.3 tm? -68.56 -61.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 7.2 t80 -40.26 -39.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.5 ' CG2' HD21 ' A' ' 38' ' ' LEU . 21.2 m -69.54 -58.5 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -45.72 -42.03 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -39.46 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 65' ' ' THR . 0.1 OUTLIER -65.51 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -54.66 -38.89 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.68 -65.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 62' ' ' PHE . 14.5 t -55.37 -19.56 9.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 67' ' ' MET . 24.8 mt -77.57 -73.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.486 ' N ' HG22 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -60.87 -60.3 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.59 43.97 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.725 HG13 ' HB3' ' A' ' 79' ' ' PRO . 20.3 t -71.6 -31.37 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -59.14 3.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -77.58 112.7 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -169.18 159.15 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -128.84 75.61 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.5 t 61.15 77.5 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -119.96 -46.47 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 39.49 36.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 78' ' ' MET . 5.3 mt -113.47 -70.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.503 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 2.7 mtt -73.96 -50.84 5.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.725 ' HB3' HG13 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 84.09 -53.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.64 -25.84 70.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -61.01 -79.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.584 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -51.33 -42.81 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -56.91 -30.98 64.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.59 -47.22 16.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -53.56 -45.87 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -64.26 -55.89 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.052 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.36 -23.73 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.504 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -74.84 -68.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.3 ptp -49.28 -25.6 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.1 mt -80.8 -46.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -56.7 -29.57 62.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.538 ' N ' HD23 ' A' ' 92' ' ' LEU . 6.9 mmt180 -83.33 -52.15 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -17.55 62.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.8 t -72.94 -73.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.47 ' N ' HG12 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -52.91 -32.13 43.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.7 tt 39.84 53.15 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER 36.91 39.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.512 0.196 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.14 148.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.78 -70.81 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.624 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -44.15 -89.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.624 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.8 -44.14 3.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.19 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -44.42 -46.64 8.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 12' ' ' VAL . 17.3 t80 -57.38 -46.91 82.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.69 -31.34 66.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.39 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -56.48 -42.78 78.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.7 t -52.69 -52.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 m -60.95 -33.66 73.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -55.97 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.41 -26.37 70.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.59 59.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.36 -44.5 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -44.92 92.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.08 -45.1 1.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 38.3 88.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 0.748 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.99 113.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.07 155.69 11.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.584 ' HG2' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -86.6 -76.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 40.99 58.48 2.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.4 98.39 1.97 Allowed Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.584 HG23 ' HG2' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -72.52 -51.46 7.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.96 0.34 9.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 3.3 m -82.71 -66.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -40.07 -62.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.7 tp -45.25 -41.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -55.82 -54.03 49.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.34 -59.34 10.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -44.68 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.98 -56.44 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 59' ' ' THR . 3.6 t -48.52 -40.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -69.25 -35.34 76.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -52.88 63.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -30.29 71.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -56.79 -52.1 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 -68.27 1.55 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -44.23 -26.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.02 -53.94 3.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.502 ' N ' ' NH1' ' A' ' 51' ' ' ARG . . . -45.51 -33.71 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.736 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -32.58 55.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -21.02 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.542 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 2.6 t -82.51 4.05 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 6.0 t -42.91 165.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.039 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 47' ' ' SER . 9.8 t-20 84.57 -58.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -37.66 88.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.77 88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.638 HH21 HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -61.14 159.11 12.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.737 ' HA ' HD21 ' A' ' 99' ' ' LEU . 30.3 t0 -169.55 85.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER 77.09 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.9 mttp -42.79 -43.16 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.638 HG21 HH21 ' A' ' 51' ' ' ARG . 0.5 OUTLIER -77.35 -35.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 t -54.43 -51.76 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -71.09 -57.8 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 54' ' ' LYS . 3.2 m-85 -43.52 -37.15 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.516 HG22 HG22 ' A' ' 35' ' ' VAL . 61.8 m -74.99 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 1.013 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -41.75 -44.85 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -43.81 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.66 -64.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.884 ' CB ' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.0 -43.28 69.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -52.49 -56.52 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -57.67 -60.41 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.1 mm -40.44 -56.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.84 -61.05 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.36 44.77 89.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.1 t -51.49 -33.25 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 78' ' ' MET . 39.1 ttt-85 -83.15 -60.06 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -166.9 -54.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.63 -69.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -108.21 137.72 45.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.43 -65.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 tttm 45.69 59.55 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -102.57 -90.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 tt -115.25 -10.23 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.73 -52.12 73.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.95 55.6 3.97 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.481 1.78 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -55.45 -51.54 66.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.464 ' HA3' ' CA ' ' A' ' 28' ' ' SER . . . -69.63 -36.12 75.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.88 -71.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.2 t -52.71 -55.15 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.23 -31.53 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.78 29.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.24 -44.36 75.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -66.77 -55.67 13.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.502 HD23 HD23 ' A' ' 92' ' ' LEU . 3.3 tt -53.13 -24.68 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 null -74.73 -61.31 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -58.52 -19.03 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.986 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -87.01 -45.88 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -70.21 -15.0 62.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -97.7 -41.3 8.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 94' ' ' LEU . 7.1 tt -77.28 -1.17 28.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.1 t -66.12 -46.8 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -94.65 26.68 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.3 33.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' CD2' HD11 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -80.97 -43.19 20.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.737 HD21 ' HA ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.529 0.204 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 56.72 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -72.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.617 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -45.87 -93.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.94 -49.63 4.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -58.1 -56.19 25.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.617 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -46.89 -52.64 11.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 t80 -53.42 -45.03 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.48 63.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -57.67 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -57.28 -41.83 80.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 8' ' ' TYR . 18.9 t -55.23 -50.77 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 m -62.78 -31.5 72.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -66.73 -50.96 61.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.29 -25.04 75.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -53.5 12.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -66.41 -61.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.44 -45.27 69.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 37.74 50.93 1.96 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 53.7 98.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -46.31 127.61 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -161.25 125.77 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -60.26 -150.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.63 -162.49 28.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.47 69.37 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.518 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -74.15 -51.58 4.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.98 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.1 m -103.59 -36.16 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.46 -52.5 13.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 tp -61.8 -27.27 41.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -68.33 -39.24 82.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.3 -54.44 13.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -52.95 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.73 -48.46 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.704 HG13 HG21 ' A' ' 59' ' ' THR . 2.5 t -55.54 -38.72 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.68 -34.23 59.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -52.67 58.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -65.36 -33.53 76.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.8 95.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.64 -52.92 9.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -50.2 -36.6 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.25 -49.41 5.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' O ' ' NH2' ' A' ' 93' ' ' ARG . . . -45.85 -35.9 4.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -37.41 -51.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 46' ' ' VAL . 1.8 mtt-85 -96.84 -14.78 21.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' CB ' ' O ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER 81.09 -6.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.6 t -105.61 138.44 41.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 164.56 -50.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -157.61 -45.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 -176.4 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' CG ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -53.29 -81.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' O ' HG12 ' A' ' 55' ' ' VAL . 5.1 t0 -162.15 -54.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -39.63 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 51' ' ' ARG . 6.9 tttt -61.18 -38.27 85.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 52' ' ' ASP . 13.6 p -76.32 -32.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -57.31 -56.68 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.8 tm? -68.65 -58.47 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -44.76 -33.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.704 HG21 HG13 ' A' ' 35' ' ' VAL . 7.2 m -74.07 -59.61 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -40.45 -44.65 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -58.76 -63.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -50.41 -43.94 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 m -70.89 -50.8 31.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 66' ' ' ILE . 18.8 mm -45.63 -53.36 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -50.8 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.6 37.56 0.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.696 HG11 ' HG3' ' A' ' 79' ' ' PRO . 61.3 t -70.54 -64.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -56.19 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -164.94 112.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 74.52 -73.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -151.3 160.83 43.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 p -138.88 -66.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 tttt 52.75 41.36 31.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.39 57.79 6.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.5 mt -116.95 -53.29 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.653 ' HB3' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -77.09 -52.15 1.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.696 ' HG3' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.0 -87.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 69.94 -61.75 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -72.09 -32.45 63.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -58.96 -59.66 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.808 ' HA ' HD23 ' A' ' 86' ' ' LEU . 79.7 t -70.15 -65.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -42.27 -30.7 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . -73.02 -53.44 7.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.808 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -48.4 -42.71 32.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -54.16 28.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -24.23 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.59 -68.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -47.65 -22.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.94 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.2 mt -86.93 -48.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -54.36 -25.2 22.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -95.53 -44.62 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -18.8 48.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 91' ' ' ILE . 60.5 t -72.46 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -45.64 -30.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.1 tt 39.38 54.93 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER 38.27 43.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.468 0.175 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.0 -64.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.362 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.95 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.601 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -43.98 -91.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.601 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 70.34 -59.82 0.85 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -55.77 -58.62 7.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -49.89 -46.01 40.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.0 t80 -54.84 -47.26 74.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.73 62.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -64.75 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.46 -42.17 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.6 t -52.87 -52.62 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.9 m -61.76 -35.1 77.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.0 -52.27 64.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.8 -24.13 76.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -49.99 39.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -69.43 -57.14 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.32 -38.3 65.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.0 -76.55 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 43.32 92.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.03 133.41 54.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.42 79.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -56.67 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.3 -157.18 25.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.504 1.128 . . . . 0.0 111.043 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.08 77.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.524 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -73.79 -51.5 5.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.04 -174.45 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.655 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 4.7 m -104.29 -34.19 8.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.58 -50.57 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 30' ' ' ILE . 4.7 tp -61.01 -29.18 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -64.42 -45.46 87.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.53 -56.54 16.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.43 -53.28 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.55 -56.9 13.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.67 HG13 ' CG2' ' A' ' 59' ' ' THR . 2.4 t -48.53 -35.19 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -37.2 64.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.762 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.45 -33.78 71.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -55.01 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.43 -68.71 1.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -48.09 -35.58 11.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.06 -74.36 0.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.25 -63.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.35 31.28 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 178.57 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 46' ' ' VAL . 0.5 OUTLIER 77.9 -2.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 41.3 t -111.04 137.87 48.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 47' ' ' SER . 6.5 m-20 155.19 -59.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -155.31 -45.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 133.05 34.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 46' ' ' VAL . 17.6 mtp180 -62.77 -71.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -166.44 -47.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.3 t -91.61 -12.97 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.24 -46.74 85.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.0 p -71.41 -35.45 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.04 -59.01 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.651 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.9 tm? -68.29 -64.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 57' ' ' LEU . 28.2 t80 -36.94 -43.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.67 ' CG2' HG13 ' A' ' 35' ' ' VAL . 51.6 m -67.63 -57.82 5.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.628 ' O ' HD23 ' A' ' 82' ' ' LEU . . . -45.44 -41.18 9.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.31 -33.76 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' ' 65' ' ' THR . 0.3 OUTLIER -65.59 -50.52 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -65.66 -42.19 91.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . . . -56.39 -44.64 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -72.69 -33.32 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 63' ' ' LEU . 26.2 mt -61.74 -60.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.3 mtt -66.82 -59.41 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.97 44.19 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.847 HG11 ' HB3' ' A' ' 79' ' ' PRO . 25.2 t -87.25 -52.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.84 146.33 37.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -164.8 -55.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.66 116.58 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.74 98.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.2 p -168.94 111.8 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 tttm 72.86 -68.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.81 60.11 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.09 -27.13 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.66 ' HB3' HG13 ' A' ' 69' ' ' VAL . 2.3 mtt -48.45 -52.33 44.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.847 ' HB3' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.03 -89.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 69.61 -62.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -68.89 -38.35 84.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 60' ' ' ALA . 1.2 tp -52.35 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -50.62 -44.98 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -51.46 -33.43 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.58 -43.21 19.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.633 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -52.3 -44.69 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 89' ' ' MET . 9.6 t -70.48 -58.22 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.515 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -47.95 -24.35 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.4 ttp -80.3 -54.61 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -58.16 -19.24 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.862 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -92.09 -39.91 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -72.96 -13.74 61.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -46.35 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' MET . 2.5 tp -60.49 -15.97 32.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.9 t -66.7 -38.67 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -90.9 15.36 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.6 tt 38.8 45.29 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.4 mt 36.31 36.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.7 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.51 0.195 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.08 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 -64.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.28 -40.35 70.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' TYR . 5.2 t -53.07 -52.36 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 m -60.99 -36.94 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.72 -54.97 38.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.12 -25.59 72.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -52.58 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.03 -55.73 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.76 73.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.97 -56.11 9.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -41.9 68.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.35 -58.4 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 t -49.67 -37.78 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.58 61.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -41.63 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.2 -41.3 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.99 67.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.43 -10.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.8 mttt -54.15 -42.42 69.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.1 p -68.33 -38.9 80.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' PHE . 7.0 tp -62.3 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 85.8 t80 -37.0 -41.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 18.6 m -68.36 -58.21 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.966 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.22 -40.56 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -38.01 71.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.752 ' O ' HG22 ' A' ' 65' ' ' THR . 0.9 OUTLIER -65.1 -59.36 4.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.864 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -60.88 -35.76 77.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -58.19 -52.34 65.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 62' ' ' PHE . 8.9 t -66.61 -27.17 67.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.61 -65.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.94 89.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.966 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.53 -74.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -53.3 -56.43 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -44.54 -32.86 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.8 -48.6 21.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -42.31 59.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -67.66 -53.71 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -22.34 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.26 -68.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -47.71 -25.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.1 tt -86.53 -44.28 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.516 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -58.81 -21.3 56.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -45.0 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -18.06 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -58.27 -60.26 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.686 HD23 ' H ' ' A' ' 96' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.51 0.195 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.55 67.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.67 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.52 -40.15 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -55.11 -51.34 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -61.48 -34.24 75.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.29 -56.94 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.25 -27.55 69.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.52 68.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.26 -67.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.799 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -65.74 -66.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.456 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -51.86 -45.83 55.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -53.29 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.23 -41.83 72.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.945 HG21 HD13 ' A' ' 82' ' ' LEU . 69.0 t -61.68 -37.75 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.24 -29.66 64.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -49.38 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.684 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -68.14 -28.42 67.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.35 -56.35 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.926 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.4 t70 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 ' HG3' ' A' ' 90' ' ' MET . 25.7 t -54.95 -19.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 31.4 tttt -67.91 -39.94 83.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 52' ' ' ASP . 11.0 p -78.41 -27.09 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -52.72 56.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tt -73.17 -55.93 5.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.6 t80 -44.43 -41.48 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.676 ' CG2' HD21 ' A' ' 38' ' ' LEU . 54.9 m -71.5 -55.54 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.835 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -45.57 -41.62 10.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -43.14 68.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.09 -61.45 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.891 ' HB3' HD11 ' A' ' 82' ' ' LEU . 1.4 tp -58.13 -39.16 78.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -55.02 -45.61 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -69.41 -32.73 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 mm -64.81 -64.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -46.07 92.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.937 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.16 -30.52 75.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.41 -74.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -53.94 -49.76 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.44 -33.78 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.456 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -74.38 -49.82 11.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -47.03 -44.77 20.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -51.09 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -28.3 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.737 ' SD ' HD22 ' A' ' 92' ' ' LEU . 1.6 tmm? -77.3 -63.26 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.598 ' HG3' HG22 ' A' ' 53' ' ' VAL . 3.3 ttm -42.4 -35.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -79.89 -46.37 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.737 HD22 ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -51.04 -25.44 4.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -47.47 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -11.58 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -51.32 -37.49 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.9 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.483 0.182 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.83 -27.63 66.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.38 -64.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.23 -40.02 70.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.3 t -55.46 -49.21 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -62.09 -36.47 81.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -62.5 -56.89 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.53 -27.64 69.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -48.93 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -57.3 -51.33 69.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.53 -58.67 12.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -46.15 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 38' ' ' LEU . 35.3 t80 -56.5 -58.79 6.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 31' ' ' ALA . 77.1 t -46.57 -38.05 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.55 -34.49 56.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -40.57 95.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.676 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.63 -44.95 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' ' SD ' ' A' ' 89' ' ' MET . . . -54.3 -44.06 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 77.7 t -96.15 -11.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -64.89 -36.04 83.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.441 ' O ' ' CB ' ' A' ' 59' ' ' THR . 11.4 p -73.28 -38.29 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -57.8 -60.01 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.66 -62.02 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 54.0 t80 -43.08 -35.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.0 m -69.14 -56.88 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.454 ' HB3' HD22 ' A' ' 86' ' ' LEU . . . -52.22 -41.44 62.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -46.44 87.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -43.43 -43.75 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.17 -64.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 m -44.21 -29.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mm -78.97 -79.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -64.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.938 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.92 65.26 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -73.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.56 -53.52 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -47.81 -31.91 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.48 -52.45 7.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -45.5 -45.22 13.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 90' ' ' MET . 18.9 m -67.76 -58.99 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' C ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -45.04 -25.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.461 ' SD ' ' CB ' ' A' ' 39' ' ' ALA . 1.4 ttp -80.54 -52.62 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -55.27 -21.65 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.92 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -91.43 -44.94 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -64.4 -15.91 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 -50.35 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.7 -18.4 53.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -54.44 -50.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' HG23 ' A' ' 12' ' ' VAL . 13.1 t80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.505 0.193 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.83 64.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.24 -63.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.94 -42.7 80.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 8' ' ' TYR . 6.1 t -53.7 -48.96 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m -61.73 -37.56 84.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -62.64 -54.87 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -27.52 70.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -46.97 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.67 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 30' ' ' ILE . 3.4 tp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.94 -51.21 70.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.85 -55.54 29.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.46 -45.31 25.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.58 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' CG2' ' A' ' 59' ' ' THR . 3.8 t -50.44 -39.13 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.53 -37.76 58.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -52.1 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -66.21 -32.25 73.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.597 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -58.98 -43.01 91.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 t -106.42 -10.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -56.59 -46.57 80.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 12.2 p -64.74 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -60.34 -66.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 17.0 t80 -35.94 -36.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 35' ' ' VAL . 4.0 m -69.68 -62.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -44.37 -43.64 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.75 -48.6 78.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -67.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -43.46 -38.81 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.89 -61.17 2.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.5 m -54.75 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -43.34 -53.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 46.3 mtp -45.72 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.58 53.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 63' ' ' LEU . 7.5 tp -58.86 -64.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.62 ' HA ' HD23 ' A' ' 86' ' ' LEU . 95.5 t -55.15 -56.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.48 -31.02 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.47 -46.3 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -55.49 -42.72 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.416 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 15.2 t -64.69 -58.03 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.01 -30.1 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.488 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 1.7 ttp -68.38 -68.06 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -53.22 -19.41 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.993 ' O ' HG23 ' A' ' 95' ' ' VAL . 70.1 mt -87.7 -32.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.629 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.32 -21.36 56.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.513 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.5 -48.8 6.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.19 -17.73 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.993 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.8 t -49.0 -54.31 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.46 0.171 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.07 -23.72 61.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -59.72 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.7 -42.07 92.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.7 t -53.08 -52.9 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -62.35 -32.85 73.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.32 -54.32 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.31 -23.61 76.3 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -51.89 44.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -65.69 -50.3 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.42 82.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.73 -54.65 24.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -43.07 63.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.5 -50.68 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.654 HG13 HG21 ' A' ' 59' ' ' THR . 16.2 t -57.83 -36.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.93 -38.95 75.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -56.49 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 35' ' ' VAL . 3.5 pp -60.23 -29.34 68.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -64.79 -60.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG21 ' HG3' ' A' ' 90' ' ' MET . 89.9 t -96.58 -12.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.52 -44.67 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.2 p -69.67 -38.58 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 t -52.59 -58.42 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -69.53 -64.1 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 18.9 t80 -37.08 -37.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.654 HG21 HG13 ' A' ' 35' ' ' VAL . 33.7 m -73.8 -60.95 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -41.34 -45.21 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -44.96 72.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.21 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -45.85 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -48.54 -53.0 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -56.53 -54.13 49.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.3 mm -48.6 -63.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.5 mmt -42.4 -67.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.14 83.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -47.44 -68.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.481 ' HA ' HD23 ' A' ' 86' ' ' LEU . 9.7 m -54.32 -42.9 59.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.21 -32.74 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.96 -45.01 10.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -51.74 -43.06 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -72.49 -56.25 5.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -31.01 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 ttp -76.01 -65.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.444 ' HG3' HG21 ' A' ' 53' ' ' VAL . 4.6 tmm? -40.26 -33.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.5 mt -85.39 -45.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -54.59 -20.1 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -44.17 6.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.1 tt -58.09 -18.32 24.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.78 -60.22 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.476 0.179 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -23.36 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -65.12 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.39 -42.25 73.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -54.85 -47.52 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -62.16 -37.23 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.61 -54.76 30.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.43 -28.46 71.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -48.86 65.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.2 mm -69.27 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -66.45 -51.84 52.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.469 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -59.05 -59.79 10.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.29 -54.45 8.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CD1' HD23 ' A' ' 38' ' ' LEU . 58.2 t80 -47.8 -53.68 14.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.831 HG21 HD23 ' A' ' 82' ' ' LEU . 90.0 t -55.35 -33.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.54 72.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -53.4 37.38 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -63.29 -26.63 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -63.81 -58.82 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.417 HG22 ' HB3' ' A' ' 90' ' ' MET . 64.8 t -97.77 -10.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 8.8 mttp -59.97 -48.88 79.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 8.1 p -73.25 -34.53 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -52.78 -57.41 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -72.58 -62.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.1 t80 -37.05 -41.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.571 ' CG2' HG13 ' A' ' 35' ' ' VAL . 87.1 m -72.8 -59.69 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -40.97 -43.15 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.78 -44.7 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.48 -63.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.749 ' HB3' HD21 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.3 -43.95 71.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -48.63 -53.96 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -56.55 -51.28 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.99 -64.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.76 -40.75 36.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -59.51 -62.07 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.643 ' HA ' HD23 ' A' ' 86' ' ' LEU . 58.4 t -56.4 -54.47 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -50.54 -29.75 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -70.9 -51.04 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -53.19 -43.6 67.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' MET . 0.3 OUTLIER -61.53 -59.11 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -30.64 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.3 ttp -66.14 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' SER . 16.8 ptm -47.78 -31.09 4.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 95' ' ' VAL . 19.3 mt -79.08 -32.32 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -72.84 -22.42 60.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.47 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -90.49 -46.4 8.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -15.34 59.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.7 t -74.48 -65.97 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.7 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.476 0.179 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.34 64.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.42 -62.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.6 pp -58.92 -42.24 89.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.4 t -54.37 -50.31 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -62.29 -34.33 76.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.62 -51.66 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.83 -25.76 74.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -51.42 28.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.22 -63.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.54 -57.37 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.96 -44.52 98.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -58.38 6.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -55.86 -39.91 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.71 HG21 HD13 ' A' ' 63' ' ' LEU . 2.9 t -61.22 -34.2 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.14 -42.54 50.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -49.15 78.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -68.52 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -58.75 -43.92 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -89.21 -15.67 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.9 tttt -59.7 -46.15 89.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.9 p -70.73 -36.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -56.71 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -74.1 -63.32 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 9.0 t80 -36.4 -38.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 96.7 m -75.77 -60.89 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -40.43 -46.19 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -43.51 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -57.13 -63.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -55.29 -48.73 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 82' ' ' LEU . . . -47.92 -42.24 26.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -73.21 -39.87 65.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.01 -59.21 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 ttp -69.07 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.643 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.45 -19.19 59.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD23 HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -59.3 -79.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.773 HG23 HD23 ' A' ' 82' ' ' LEU . 49.1 t -64.66 -48.96 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -52.3 -30.74 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -51.54 9.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -49.2 -44.31 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -66.19 -54.0 30.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -20.83 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -67.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -50.67 -22.11 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.2 tp -90.03 -42.27 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -30.01 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.649 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -94.23 -50.42 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 90' ' ' MET . 3.5 tp -55.22 -19.86 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.7 t -72.63 -76.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.445 0.164 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.32 -26.58 60.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.21 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.83 -43.36 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.91 -49.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -63.88 -32.34 73.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -65.18 -52.47 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.75 77.18 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -53.82 20.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.78 -57.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.9 -53.4 58.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.52 -49.23 70.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -42.44 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.22 -49.89 75.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.777 HG13 ' CG2' ' A' ' 59' ' ' THR . 99.3 t -54.73 -38.97 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.87 -37.59 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -54.54 45.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.746 HD11 HG21 ' A' ' 59' ' ' THR . 4.6 pp -62.67 -34.83 77.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.576 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -57.18 -42.12 80.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.5 t -98.35 -10.87 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -49.57 -46.71 49.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.6 p -67.87 -37.56 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.62 -64.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -62.93 -64.44 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 64.8 t80 -36.35 -43.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.777 ' CG2' HG13 ' A' ' 35' ' ' VAL . 20.9 m -66.55 -58.49 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -45.89 -41.03 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -61.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.8 OUTLIER -57.03 -40.67 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -56.35 -56.36 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.7 m -56.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.0 mt -40.3 -53.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 3.1 mmt -48.57 -68.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.45 -52.58 25.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -45.42 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.659 ' HA ' HD23 ' A' ' 86' ' ' LEU . 17.1 t -47.22 -55.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -41.89 -34.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.22 14.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -54.52 -37.76 65.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 t -72.48 -56.04 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -31.2 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.1 ttp -76.38 -54.06 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.06 -30.68 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.3 tt -85.91 -40.76 14.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.666 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -62.14 -18.5 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.642 ' NH1' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -98.38 -47.03 5.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -64.45 -14.54 57.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 91' ' ' ILE . 4.1 t -72.94 -64.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.642 HD21 ' NH1' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.2 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.469 0.176 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 -21.7 63.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.8 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -54.98 -39.91 69.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' TYR . 97.0 t -55.31 -48.76 76.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -62.52 -37.15 84.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.28 -53.75 50.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -25.89 72.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -52.23 46.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.3 -63.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.543 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.57 -57.94 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.22 -53.76 40.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.127 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.0 -63.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.618 ' CD1' HD21 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -44.78 -58.37 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.576 ' CG2' HD12 ' A' ' 82' ' ' LEU . 35.3 t -44.34 -40.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.21 -45.94 83.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -42.09 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.749 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.69 -39.94 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.96 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -104.12 -10.77 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -47.81 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.2 p -64.01 -30.13 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -57.64 11.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.23 -57.81 10.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -50.84 -29.8 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 HD12 ' A' ' 38' ' ' LEU . 1.4 m -71.01 -52.58 18.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.894 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . -56.68 -45.27 81.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.36 -31.44 70.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -71.96 -66.8 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 82' ' ' LEU . 7.8 tp -52.87 -35.61 57.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -60.78 -65.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -51.23 -57.43 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.2 mm -46.96 -60.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtt -43.3 -66.53 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.99 96.51 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 60' ' ' ALA . 10.2 tp -56.98 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.951 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.6 t -47.1 -47.9 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -52.47 -31.37 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -75.01 -51.72 7.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.951 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -50.02 -38.85 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -70.33 -58.7 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -47.47 -24.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.403 ' N ' ' C ' ' A' ' 87' ' ' SER . 1.9 ttp -78.79 -61.37 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.5 ppp? -48.34 -27.01 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.824 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -87.52 -41.23 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -58.95 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -56.6 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -23.08 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.1 t -60.8 -64.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.475 0.178 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.14 62.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -65.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.89 -39.52 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -54.63 -52.69 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -61.58 -33.46 73.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.47 -51.33 63.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.06 -25.1 75.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -52.84 22.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -69.23 -60.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -69.12 -36.18 77.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.16 -50.89 25.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -41.33 81.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.43 -45.91 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 HD11 ' A' ' 63' ' ' LEU . 14.9 t -59.52 -35.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -68.99 -45.74 61.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.41 -55.37 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.38 -34.13 73.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -57.49 -45.66 84.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.478 HG22 ' CB ' ' A' ' 90' ' ' MET . 49.1 t -109.89 -10.74 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -50.3 -52.99 31.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.1 p -62.99 -33.43 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.08 -64.56 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -40.24 -33.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.5 m -70.42 -60.65 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.915 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -44.57 -44.57 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.38 -46.87 84.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -65.12 -68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -44.17 -37.06 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.04 -68.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -53.61 -60.47 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 62' ' ' PHE . 73.6 mt -42.81 -54.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 2.9 mmt -48.85 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.693 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.83 -25.21 63.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.915 HD23 ' HA ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -57.93 -78.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.678 ' HA ' HD23 ' A' ' 86' ' ' LEU . 71.5 t -63.24 -56.6 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -46.33 -31.53 2.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.77 -52.53 11.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -50.74 -42.66 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.43 4.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -28.73 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.2 ttp -68.64 -67.19 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' HG22 ' A' ' 53' ' ' VAL . 6.0 ptm -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 95' ' ' VAL . 10.4 mm -80.62 -39.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -78.77 -12.48 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.826 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -90.15 -52.68 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.9 tt -57.23 -18.24 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 91' ' ' ILE . 7.0 t -73.59 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.706 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.47 0.176 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.54 63.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.43 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.01 -41.71 83.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 8' ' ' TYR . 17.3 t -55.42 -48.92 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -63.02 -34.03 76.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -65.34 -53.24 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.37 -26.17 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -51.07 46.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.08 -61.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.33 94.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.7 -49.06 66.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -53.14 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -53.53 -51.27 63.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 ' CG1' HG21 ' A' ' 59' ' ' THR . 2.4 t -50.89 -40.89 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -28.64 68.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -50.98 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -42.17 89.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.29 67.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.86 HG22 ' HA ' ' A' ' 90' ' ' MET . 69.6 t -91.48 -29.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 8.3 mttt -60.19 -42.23 94.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.1 p -70.98 -31.76 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.412 ' OG ' ' CB ' ' A' ' 89' ' ' MET . 0.3 OUTLIER -58.56 -54.06 51.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.66 -60.12 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 6.9 m-85 -44.49 -39.68 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.54 HG21 ' CG1' ' A' ' 35' ' ' VAL . 20.7 m -69.33 -55.62 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.7 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -48.48 -43.15 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -37.64 79.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -67.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.772 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -49.22 -40.47 33.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -58.21 -51.99 67.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -57.59 -53.43 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.42 -63.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.65 -61.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.426 1.079 . . . . 0.0 110.993 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.66 -31.96 47.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.772 HD21 ' CB ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -58.77 -61.72 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.66 -50.43 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -49.43 -32.1 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.43 -47.03 13.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -50.36 -44.94 54.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 1.8 m -68.91 -51.83 35.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -39.89 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.654 ' SD ' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -71.93 -61.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.86 ' HA ' HG22 ' A' ' 53' ' ' VAL . 1.6 ttm -47.18 -25.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 95' ' ' VAL . 18.8 mt -86.91 -46.56 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.654 HD22 ' SD ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -52.63 -27.5 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 -47.98 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.21 -16.05 29.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.3 t -69.08 -44.49 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.842 ' O ' HG23 ' A' ' 12' ' ' VAL . 37.4 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.489 0.185 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.24 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.89 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.46 -39.05 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 8' ' ' TYR . 65.1 t -54.8 -50.73 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -61.97 -37.32 84.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.29 -55.03 36.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.83 -25.71 71.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -46.4 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.76 -62.69 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -67.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.9 94.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -45.19 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.49 -45.21 94.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.723 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 86.4 t -64.83 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.34 -40.33 80.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -65.54 -57.92 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.42 -24.38 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -65.86 -53.39 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 90' ' ' MET . 18.5 t -107.31 -11.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -56.64 -50.59 71.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.9 p -63.68 -30.23 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -59.34 -60.1 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.628 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -59.2 -61.55 2.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.27 -33.14 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.9 m -69.9 -55.26 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.711 ' O ' HD11 ' A' ' 82' ' ' LEU . . . -53.17 -44.32 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.78 95.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.424 ' HD2' HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.36 -55.97 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -36.5 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.596 ' HB2' HD21 ' A' ' 82' ' ' LEU . . . -63.61 -61.05 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 62' ' ' PHE . 6.4 t -62.25 -12.19 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 67' ' ' MET . 27.1 mt -83.42 -72.23 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.465 ' N ' HG22 ' A' ' 66' ' ' ILE . 3.7 mtm -78.93 -50.14 11.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.691 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.43 56.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.711 HD11 ' O ' ' A' ' 60' ' ' ALA . 3.6 tp -53.09 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HA ' HD23 ' A' ' 86' ' ' LEU . 81.6 t -66.67 -61.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -39.96 -33.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.05 -52.93 8.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.04 -43.51 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' HD12 ' A' ' 86' ' ' LEU . 1.4 t -67.52 -57.34 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -46.12 -25.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' SER . 2.0 ttp -79.0 -63.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.822 ' HE3' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -45.88 -26.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.822 HD12 ' HE3' ' A' ' 90' ' ' MET . 0.4 OUTLIER -89.49 -41.65 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.676 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.98 -25.06 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.599 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.11 -50.26 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.3 tt -51.98 -22.19 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 96' ' ' LEU . 2.3 t -65.99 -65.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 95' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.549 0.214 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.05 66.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -65.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -54.84 -41.2 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.87 -46.36 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -61.06 -54.51 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.68 -28.49 71.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -49.34 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.31 -67.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -64.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.58 -58.13 13.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CD2' HD23 ' A' ' 38' ' ' LEU . 5.2 t80 -50.07 -49.89 49.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.984 HG22 ' CG2' ' A' ' 59' ' ' THR . 57.9 t -57.63 -31.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.14 60.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -57.52 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 59' ' ' THR . 2.6 pp -60.11 -33.24 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.713 ' HB1' ' SD ' ' A' ' 89' ' ' MET . . . -56.29 -54.53 44.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.557 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.5 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.4 t -48.76 -25.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.58 -39.12 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -79.26 -27.56 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.456 ' HB3' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -64.82 -53.12 51.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.031 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -69.32 -50.35 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -55.15 -29.97 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.984 ' CG2' HG22 ' A' ' 35' ' ' VAL . 2.8 m -75.11 -53.92 8.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.922 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -52.55 -46.25 66.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HD23 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -63.54 -47.82 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.511 ' CE2' HG13 ' A' ' 66' ' ' ILE . 60.8 t80 -62.54 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.606 ' HB3' HD21 ' A' ' 82' ' ' LEU . 1.1 tp -41.59 -43.96 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -55.39 -49.19 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' PHE . 1.7 m -64.18 -56.9 11.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.511 HG13 ' CE2' ' A' ' 62' ' ' PHE . 4.1 mm -44.09 -55.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -57.36 13.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.69 -26.61 71.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.922 HD22 ' HA ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -60.44 -74.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.64 -55.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -48.14 -30.95 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.82 -49.41 17.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.423 1.077 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.33 -46.11 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.446 ' N ' HD12 ' A' ' 86' ' ' LEU . 15.9 m -61.95 -58.66 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.89 -22.06 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.713 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -74.04 -64.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 5.7 ptp -49.84 -34.39 19.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.939 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -81.9 -32.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -66.18 -25.45 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -93.47 -44.94 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -13.77 39.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.4 t -48.67 -50.52 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.653 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.7 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -20.02 63.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -40.95 78.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 8' ' ' TYR . 53.9 t -55.45 -49.59 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -62.85 -33.59 75.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.459 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.84 -53.03 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.85 -25.17 74.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -56.15 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.08 -56.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -61.58 -48.78 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.94 -60.0 7.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -47.01 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -60.23 -53.42 57.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.882 HG21 HD13 ' A' ' 82' ' ' LEU . 69.0 t -55.04 -31.49 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.78 -35.3 40.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -41.36 89.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -73.38 -35.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.15 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.6 t -105.06 -11.0 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -55.02 -42.46 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.2 p -70.2 -36.9 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.48 -56.71 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' PHE . 2.1 tt -72.2 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 37.1 t80 -36.91 -42.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 87.0 m -70.79 -58.38 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 1.013 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -42.89 -42.2 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -46.72 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.83 -65.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.802 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -48.13 -50.09 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -46.18 -64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -45.18 -42.9 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.63 -73.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.0 mtt -43.55 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.5 -37.56 27.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -59.31 -59.54 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.521 ' HA ' HD23 ' A' ' 86' ' ' LEU . 76.0 t -61.06 -49.65 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -49.56 -32.62 12.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.2 -52.2 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -50.02 -37.52 33.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -53.42 16.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.33 -24.08 41.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -75.97 -68.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' HD12 ' A' ' 91' ' ' ILE . 1.4 ptm -49.97 -24.66 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.904 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -88.25 -35.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -25.55 67.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -46.14 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.2 -16.68 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.0 t -41.15 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.7 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.476 0.179 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.81 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.61 -41.09 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.9 t -52.93 -52.8 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -61.73 -34.65 76.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.88 -55.44 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.18 -24.78 73.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.59 46.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.88 -53.43 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.79 -55.31 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.74 93.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.22 -41.9 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.1 -47.4 86.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.63 -37.19 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.27 -34.05 61.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -51.11 56.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -63.16 -34.05 76.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.79 -58.06 10.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.766 HG22 ' HB2' ' A' ' 90' ' ' MET . 19.3 t -93.41 -15.35 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 2.1 mmtt -57.84 -48.81 78.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.6 p -65.51 -33.2 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.43 -60.24 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -63.07 -63.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 7.7 m-85 -40.88 -36.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.2 m -67.1 -58.81 4.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.536 ' O ' HD21 ' A' ' 82' ' ' LEU . . . -47.98 -43.25 29.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -41.87 95.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.437 ' O ' HG22 ' A' ' 65' ' ' THR . 1.6 t80 -67.48 -65.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.97 -42.52 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.71 80.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -71.28 -9.51 58.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 mm -89.87 -70.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -44.08 62.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.0 -24.86 52.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD21 ' O ' ' A' ' 60' ' ' ALA . 1.5 tp -60.37 -83.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.626 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -55.13 -45.02 77.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -54.96 -30.54 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.71 -47.65 19.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -53.7 -42.73 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.2 m -68.06 -53.76 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -24.13 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.49 -62.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.766 ' HB2' HG22 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -56.19 -21.15 21.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 95' ' ' VAL . 16.9 mt -86.22 -40.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.647 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -64.62 -27.76 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.709 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.3 -48.87 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -15.43 58.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -75.3 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.725 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.7 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.513 0.197 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.67 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -63.68 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.84 -43.22 76.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 8' ' ' TYR . 24.9 t -53.92 -48.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -61.89 -36.74 82.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -64.12 -52.65 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.74 -27.37 71.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -50.39 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.5 mm -67.24 -66.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.948 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.06 -56.76 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.44 -39.84 97.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -61.45 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.28 -52.14 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 59' ' ' THR . 55.3 t -52.96 -39.14 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.52 -29.13 66.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.76 30.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -36.27 78.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -58.13 -44.11 87.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.1 t -88.64 -25.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.5 p -72.41 -37.07 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.43 -59.73 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.55 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 93.4 t80 -37.37 -38.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.598 HG21 HG11 ' A' ' 35' ' ' VAL . 20.0 m -70.57 -60.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.601 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -41.18 -42.74 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.81 -42.69 73.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -63.51 -63.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -53.36 -40.81 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -53.44 -54.17 40.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' ILE . 1.3 m -62.64 -59.76 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' THR . 8.9 mm -39.96 -50.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.29 -13.78 60.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.749 HD23 HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -62.48 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.749 HG13 HD23 ' A' ' 82' ' ' LEU . 2.6 m -65.45 -38.39 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.26 -30.57 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.06 -47.53 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.677 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -56.04 -37.04 68.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -71.94 -51.15 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -56.5 -24.01 43.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -70.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -48.95 -24.57 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -87.44 -42.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -55.8 -30.07 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.505 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -92.6 -44.5 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.37 -15.23 63.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.3 t -75.82 -67.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.618 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.6 t80 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.481 0.181 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.62 77.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.5 -64.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.8 pp -53.09 -39.67 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.4 t -56.61 -47.48 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -62.78 -36.31 82.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.67 -54.27 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.38 -27.69 71.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -47.36 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -69.25 -68.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -61.1 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.85 -60.0 9.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.31 -57.16 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -48.88 -52.73 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.12 -31.57 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.67 -32.63 59.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.94 67.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -68.39 -32.49 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB1' ' SD ' ' A' ' 89' ' ' MET . . . -64.89 -55.52 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 3.6 t0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.37 -11.18 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 15.2 tttt -67.36 -44.9 77.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 52' ' ' ASP . 1.4 p -74.62 -34.93 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -56.06 -57.49 11.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.676 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.3 tm? -68.56 -61.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 7.2 t80 -40.26 -39.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.5 ' CG2' HD21 ' A' ' 38' ' ' LEU . 21.2 m -69.54 -58.5 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -45.72 -42.03 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -39.46 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 65' ' ' THR . 0.1 OUTLIER -65.51 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -54.66 -38.89 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.68 -65.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 62' ' ' PHE . 14.5 t -55.37 -19.56 9.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 67' ' ' MET . 24.8 mt -77.57 -73.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.486 ' N ' HG22 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -60.87 -60.3 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.64 -25.84 70.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -61.01 -79.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.584 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -51.33 -42.81 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -56.91 -30.98 64.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.59 -47.22 16.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -53.56 -45.87 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -64.26 -55.89 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.052 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.36 -23.73 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.504 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -74.84 -68.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.3 ptp -49.28 -25.6 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.1 mt -80.8 -46.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -56.7 -29.57 62.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.538 ' N ' HD23 ' A' ' 92' ' ' LEU . 6.9 mmt180 -83.33 -52.15 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -17.55 62.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.8 t -72.94 -73.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.47 ' N ' HG12 ' A' ' 95' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 12' ' ' VAL . 17.3 t80 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.69 -31.34 66.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.39 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -56.48 -42.78 78.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.7 t -52.69 -52.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 m -60.95 -33.66 73.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -55.97 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.41 -26.37 70.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.59 59.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.36 -44.5 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.599 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -55.82 -54.03 49.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.34 -59.34 10.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -44.68 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.98 -56.44 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 59' ' ' THR . 3.6 t -48.52 -40.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -69.25 -35.34 76.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -52.88 63.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -30.29 71.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -56.79 -52.1 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER 77.09 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.9 mttp -42.79 -43.16 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.35 -35.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 t -54.43 -51.76 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -71.09 -57.8 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 54' ' ' LYS . 3.2 m-85 -43.52 -37.15 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.516 HG22 HG22 ' A' ' 35' ' ' VAL . 61.8 m -74.99 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 1.013 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -41.75 -44.85 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -43.81 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.66 -64.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.884 ' CB ' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.0 -43.28 69.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -52.49 -56.52 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -57.67 -60.41 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.1 mm -40.44 -56.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.84 -61.05 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.63 -36.12 75.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.88 -71.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.2 t -52.71 -55.15 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.23 -31.53 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.78 29.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.24 -44.36 75.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -66.77 -55.67 13.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.502 HD23 HD23 ' A' ' 92' ' ' LEU . 3.3 tt -53.13 -24.68 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 null -74.73 -61.31 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -58.52 -19.03 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.986 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -87.01 -45.88 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -70.21 -15.0 62.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -41.3 8.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 94' ' ' LEU . 7.1 tt -77.28 -1.17 28.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.1 t -66.12 -46.8 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 t80 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.553 0.216 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.48 63.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -57.67 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -57.28 -41.83 80.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 8' ' ' TYR . 18.9 t -55.23 -50.77 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 m -62.78 -31.5 72.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -66.73 -50.96 61.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.29 -25.04 75.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -53.5 12.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -66.41 -61.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.24 82.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.3 -54.44 13.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -52.95 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.73 -48.46 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.704 HG13 HG21 ' A' ' 59' ' ' THR . 2.5 t -55.54 -38.72 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.68 -34.23 59.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -52.67 58.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -65.36 -33.53 76.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.8 95.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' O ' HG12 ' A' ' 55' ' ' VAL . 5.1 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -39.63 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -61.18 -38.27 85.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 52' ' ' ASP . 13.6 p -76.32 -32.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -57.31 -56.68 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.8 tm? -68.65 -58.47 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -44.76 -33.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.704 HG21 HG13 ' A' ' 35' ' ' VAL . 7.2 m -74.07 -59.61 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -40.45 -44.65 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -58.76 -63.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -50.41 -43.94 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 m -70.89 -50.8 31.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 66' ' ' ILE . 18.8 mm -45.63 -53.36 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -50.8 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 110.976 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.45 63.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -58.96 -59.66 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.808 ' HA ' HD23 ' A' ' 86' ' ' LEU . 79.7 t -70.15 -65.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -42.27 -30.7 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . -73.02 -53.44 7.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.808 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -48.4 -42.71 32.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -54.16 28.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -24.23 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.59 -68.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -47.65 -22.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.94 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.2 mt -86.93 -48.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -54.36 -25.2 22.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -95.53 -44.62 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -18.8 48.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 91' ' ' ILE . 60.5 t -72.46 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.0 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.73 62.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.46 -42.17 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.6 t -52.87 -52.62 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.9 m -61.76 -35.1 77.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.0 -52.27 64.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.8 -24.13 76.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -49.99 39.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -69.43 -57.14 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 30' ' ' ILE . 4.7 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.46 87.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.53 -56.54 16.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.43 -53.28 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.55 -56.9 13.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.67 HG13 ' CG2' ' A' ' 59' ' ' THR . 2.4 t -48.53 -35.19 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -37.2 64.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.762 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.45 -33.78 71.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -55.01 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.3 t -91.61 -12.97 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.24 -46.74 85.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.0 p -71.41 -35.45 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.04 -59.01 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.651 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.9 tm? -68.29 -64.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 57' ' ' LEU . 28.2 t80 -36.94 -43.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.67 ' CG2' HG13 ' A' ' 35' ' ' VAL . 51.6 m -67.63 -57.82 5.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.628 ' O ' HD23 ' A' ' 82' ' ' LEU . . . -45.44 -41.18 9.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.31 -33.76 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' ' 65' ' ' THR . 0.3 OUTLIER -65.59 -50.52 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -65.66 -42.19 91.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . . . -56.39 -44.64 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -72.69 -33.32 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 63' ' ' LEU . 26.2 mt -61.74 -60.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.3 mtt -66.82 -59.41 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.89 -38.35 84.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 60' ' ' ALA . 1.2 tp -52.35 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -50.62 -44.98 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -51.46 -33.43 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.58 -43.21 19.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.633 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -52.3 -44.69 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 89' ' ' MET . 9.6 t -70.48 -58.22 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.515 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -47.95 -24.35 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.4 ttp -80.3 -54.61 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -58.16 -19.24 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.862 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -92.09 -39.91 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -72.96 -13.74 61.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -46.35 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' MET . 2.5 tp -60.49 -15.97 32.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.9 t -66.7 -38.67 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.561 0.22 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -47.58 145.12 2.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.5 -63.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.578 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -41.77 -90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.578 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 71.08 -70.58 0.78 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.91 -56.71 18.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.536 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -38.74 -49.88 2.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.7 t80 -54.66 -51.63 64.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.08 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.55 -64.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.28 -40.35 70.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' TYR . 5.2 t -53.07 -52.36 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 m -60.99 -36.94 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.72 -54.97 38.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.12 -25.59 72.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -52.58 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.03 -55.73 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.41 -49.2 13.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.67 -72.14 0.65 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -41.87 133.37 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -53.56 150.86 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -76.26 155.5 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -52.54 38.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -156.29 24.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.08 -57.41 0.59 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -49.91 -51.45 60.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.97 179.05 6.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -118.73 -55.39 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.27 -51.65 18.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 mp -56.23 -38.01 52.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -65.27 -31.76 73.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.97 -56.11 9.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.079 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -41.9 68.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.35 -58.4 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 t -49.67 -37.78 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.04 -34.58 61.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -41.63 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.2 -41.3 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.09 -44.99 67.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -80.05 -68.35 1.49 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -37.8 -31.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 44' ' ' TYR . . . -85.93 -57.38 2.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . . . -39.95 -29.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.439 ' N ' ' C ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -36.47 -53.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.67 6.52 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -50.76 -22.13 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -38.8 138.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 170.17 -60.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -99.15 -10.38 22.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.01 44.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -178.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -153.17 -84.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.43 -10.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.8 mttt -54.15 -42.42 69.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.1 p -68.33 -38.9 80.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' PHE . 7.0 tp -62.3 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 85.8 t80 -37.0 -41.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 18.6 m -68.36 -58.21 4.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.966 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -46.22 -40.56 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -38.01 71.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.752 ' O ' HG22 ' A' ' 65' ' ' THR . 0.9 OUTLIER -65.1 -59.36 4.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.864 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -60.88 -35.76 77.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -58.19 -52.34 65.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 62' ' ' PHE . 8.9 t -66.61 -27.17 67.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.61 -65.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -60.0 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.86 44.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.807 HG22 ' HA ' ' A' ' 79' ' ' PRO . 3.1 t -72.0 -33.64 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 164.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -38.17 116.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.16 -176.36 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -79.81 120.72 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.58 160.13 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -107.36 47.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.38 57.34 5.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mt -119.49 -70.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.472 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.23 -52.28 49.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.807 ' HA ' HG22 ' A' ' 69' ' ' VAL . 18.1 Cg_endo -75.06 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 82.08 -54.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.423 ' HA3' ' CA ' ' A' ' 28' ' ' SER . . . -60.24 -35.94 89.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.966 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.53 -74.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -53.3 -56.43 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -44.54 -32.86 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.8 -48.6 21.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -42.31 59.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -67.66 -53.71 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -22.34 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.26 -68.15 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -47.71 -25.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.1 tt -86.53 -44.28 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.516 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -58.81 -21.3 56.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -45.0 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -18.06 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -58.27 -60.26 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.686 HD23 ' H ' ' A' ' 96' ' ' LEU . 1.4 pt? -83.88 -43.45 15.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.3 tt 35.62 46.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 96' ' ' LEU . 2.0 pp -125.71 -44.58 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 98' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.513 0.197 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -147.12 157.11 43.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -64.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.622 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -41.1 -87.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.29 -47.15 3.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.44 -64.38 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.622 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -39.82 -51.86 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -56.5 -50.58 71.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -24.55 67.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -66.67 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.52 -40.15 74.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -55.11 -51.34 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 m -61.48 -34.24 75.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.29 -56.94 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.25 -27.55 69.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.52 68.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 0.748 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.26 -67.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -38.61 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.63 -56.57 5.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.71 162.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -53.48 121.09 7.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -101.61 169.02 9.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -59.88 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.38 146.88 6.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.137 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' HA2' ' CB ' ' A' ' 77' ' ' ILE . . . 89.28 93.88 1.11 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -61.61 -51.7 74.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.312 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 54.64 3.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 16.9 p -120.38 -58.33 1.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.959 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.76 -47.24 20.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.799 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -62.64 -33.05 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -65.74 -66.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.456 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -51.86 -45.83 55.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -53.29 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.23 -41.83 72.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.945 HG21 HD13 ' A' ' 82' ' ' LEU . 69.0 t -61.68 -37.75 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.24 -29.66 64.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -49.38 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.684 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -68.14 -28.42 67.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.35 -56.35 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.86 -65.81 2.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -52.59 -37.58 58.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.04 -77.1 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.127 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.581 ' HB1' ' HB ' ' A' ' 46' ' ' VAL . . . -42.09 -63.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 5.4 t80 68.27 -62.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -123.59 3.34 8.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.123 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.581 ' HB ' ' HB1' ' A' ' 43' ' ' ALA . 2.9 t -80.54 -0.68 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 40.6 t -102.25 143.92 31.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.841 ' HA ' HD13 ' A' ' 99' ' ' LEU . 37.2 t30 74.96 -64.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -71.9 -9.05 57.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -159.27 175.63 13.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -64.05 147.65 51.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.926 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.4 t70 -120.75 -46.93 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 ' HG3' ' A' ' 90' ' ' MET . 25.7 t -54.95 -19.38 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 31.4 tttt -67.91 -39.94 83.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 52' ' ' ASP . 11.0 p -78.41 -27.09 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -52.72 56.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tt -73.17 -55.93 5.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.6 t80 -44.43 -41.48 6.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.676 ' CG2' HD21 ' A' ' 38' ' ' LEU . 54.9 m -71.5 -55.54 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.835 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -45.57 -41.62 10.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -43.14 68.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.09 -61.45 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.891 ' HB3' HD11 ' A' ' 82' ' ' LEU . 1.4 tp -58.13 -39.16 78.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -55.02 -45.61 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -69.41 -32.73 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 mm -64.81 -64.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -46.07 92.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 70' ' ' ARG . . . 115.87 30.41 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 79' ' ' PRO . 1.6 t -40.66 -30.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -45.31 149.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' ARG . 61.7 t80 -37.74 -55.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 70.92 -79.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.07 -59.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.04 -179.92 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.74 60.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.43 49.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.407 ' CB ' ' HA2' ' A' ' 25' ' ' GLY . 21.6 pt -112.0 -16.47 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.525 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -77.79 -49.06 2.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.719 ' HA ' HG22 ' A' ' 69' ' ' VAL . 18.5 Cg_endo -74.95 -166.42 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 84.69 -50.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 28' ' ' SER . . . -67.16 -30.52 75.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.41 -74.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.1 t -53.94 -49.76 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.44 -33.78 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.456 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -74.38 -49.82 11.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -47.03 -44.77 20.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -51.09 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -28.3 11.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.737 ' SD ' HD22 ' A' ' 92' ' ' LEU . 1.6 tmm? -77.3 -63.26 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.598 ' HG3' HG22 ' A' ' 53' ' ' VAL . 3.3 ttm -42.4 -35.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -79.89 -46.37 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.737 HD22 ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -51.04 -25.44 4.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -47.47 7.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -11.58 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -51.32 -37.49 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.719 HD12 ' HB2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -94.15 -20.53 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.1 tt 37.9 39.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.719 ' HB2' HD12 ' A' ' 96' ' ' LEU . 38.0 mt -92.04 -27.61 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.841 HD13 ' HA ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.492 ' H3 ' ' CG2' ' A' ' 4' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.544 0.211 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -162.55 -54.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.49 -52.23 11.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.624 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -44.68 -91.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.615 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 73.08 -66.3 1.5 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -55.47 -58.29 8.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.624 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -39.26 -53.49 2.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.9 t80 -52.86 -48.43 67.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.83 -27.63 66.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.38 -64.51 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.23 -40.02 70.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.3 t -55.46 -49.21 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m -62.09 -36.47 81.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -62.5 -56.89 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.53 -27.64 69.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -48.93 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -66.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.52 -50.77 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.52 -58.45 4.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER 54.4 103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' TYR . 3.1 tttt -40.55 155.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 101.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -78.52 -56.4 4.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.118 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.84 55.5 0.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.22 92.04 1.53 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -67.31 -51.88 31.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.417 0.716 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -74.99 56.96 4.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.676 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.3 t -119.07 -69.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.94 -60.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.6 tp -47.56 -39.94 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -57.3 -51.33 69.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.53 -58.67 12.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -46.15 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 38' ' ' LEU . 35.3 t80 -56.5 -58.79 6.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 31' ' ' ALA . 77.1 t -46.57 -38.05 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.55 -34.49 56.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -40.57 95.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.676 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.63 -44.95 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' ' SD ' ' A' ' 89' ' ' MET . . . -54.3 -44.06 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.49 -64.34 2.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -45.37 -24.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -89.36 -41.44 5.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.523 ' HB1' ' NH2' ' A' ' 93' ' ' ARG . . . -73.53 -5.85 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -36.63 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.58 1.71 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -90.12 -14.53 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.517 ' HB2' ' HB1' ' A' ' 43' ' ' ALA . 47.1 t -78.35 141.05 38.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 47' ' ' SER . 5.1 m-20 158.21 -67.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.3 10.26 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HD2' HG22 ' A' ' 46' ' ' VAL . 13.2 mttt -91.08 -171.7 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.35 163.66 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -129.65 -68.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 77.7 t -96.15 -11.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -64.89 -36.04 83.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.441 ' O ' ' CB ' ' A' ' 59' ' ' THR . 11.4 p -73.28 -38.29 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -57.8 -60.01 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.66 -62.02 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 54.0 t80 -43.08 -35.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.0 m -69.14 -56.88 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.454 ' HB3' HD22 ' A' ' 86' ' ' LEU . . . -52.22 -41.44 62.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -46.44 87.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -66.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -43.43 -43.75 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 69' ' ' VAL . . . -58.17 -64.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 m -44.21 -29.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mm -78.97 -79.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -64.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.61 44.58 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.985 HG21 ' HG ' ' A' ' 82' ' ' LEU . 18.8 t -66.34 -30.65 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.2 167.44 19.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -38.45 112.07 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -117.96 -57.7 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -59.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.56 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -77.46 60.05 2.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.237 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -82.39 52.79 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.9 -30.7 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.491 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER -46.97 -50.93 43.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.846 ' HB3' HG22 ' A' ' 69' ' ' VAL . 18.1 Cg_endo -75.1 55.54 4.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.802 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -86.04 -42.09 14.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.92 65.26 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.985 ' HG ' HG21 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -58.46 -73.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.56 -53.52 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -47.81 -31.91 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.48 -52.45 7.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -45.5 -45.22 13.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 90' ' ' MET . 18.9 m -67.76 -58.99 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' C ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -45.04 -25.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.461 ' SD ' ' CB ' ' A' ' 39' ' ' ALA . 1.4 ttp -80.54 -52.62 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -55.27 -21.65 15.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.92 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -91.43 -44.94 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -64.4 -15.91 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' NH2' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -101.01 -50.35 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.7 -18.4 53.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -54.44 -50.61 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -94.63 -40.15 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.04 33.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -99.02 -31.51 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.531 0.205 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.27 -178.24 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -51.08 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.673 HD11 ' HA3' ' A' ' 7' ' ' GLY . 1.4 tt -40.58 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.651 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 87.2 -49.69 4.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -57.47 -60.17 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.673 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -50.2 -47.3 42.36 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' O ' HG23 ' A' ' 12' ' ' VAL . 13.1 t80 -58.98 -44.28 91.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -27.83 64.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -63.24 -63.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.94 -42.7 80.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 8' ' ' TYR . 6.1 t -53.7 -48.96 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m -61.73 -37.56 84.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -62.64 -54.87 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.25 -27.52 70.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -46.97 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.67 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.07 -47.39 65.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.08 57.82 2.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 49.77 92.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -54.63 110.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -179.48 48.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ARG . 2.2 ttm180 -59.63 -150.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.06 106.25 2.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.94 -72.2 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -68.84 -51.77 19.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.02 120.74 6.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.645 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 2.6 m -88.43 -20.38 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.02 -50.26 15.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 30' ' ' ILE . 3.4 tp -61.38 -32.2 52.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -59.94 -51.21 70.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.85 -55.54 29.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.46 -45.31 25.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.58 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' CG2' ' A' ' 59' ' ' THR . 3.8 t -50.44 -39.13 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.53 -37.76 58.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -52.1 66.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 39' ' ' ALA . 4.2 pp -66.21 -32.25 73.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.597 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -58.98 -43.01 91.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.85 -61.88 3.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -45.03 -35.89 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.51 -31.89 23.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -67.02 -21.16 65.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.98 -29.91 69.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.24 3.32 38.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 50' ' ' LYS . 2.4 t -78.29 0.11 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 3.7 t -39.0 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 47' ' ' SER . 3.7 t30 80.44 -71.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -160.12 -66.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.53 ' HB3' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER 49.52 -162.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -174.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -147.55 -73.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 t -106.42 -10.8 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -56.59 -46.57 80.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 12.2 p -64.74 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -66.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -60.34 -66.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 17.0 t80 -35.94 -36.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 35' ' ' VAL . 4.0 m -69.68 -62.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -44.37 -43.64 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.75 -48.6 78.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -67.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -43.46 -38.81 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.89 -61.17 2.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.5 m -54.75 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -43.34 -53.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 46.3 mtp -45.72 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.85 53.9 5.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.3 t -40.12 -56.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -151.06 -60.04 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 0.1 OUTLIER -56.94 -58.47 8.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 80.17 -62.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.33 47.61 1.5 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 71' ' ' PHE . 46.8 t -165.2 75.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 56.39 3.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -115.73 -65.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.4 mt -92.99 -40.15 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -45.25 -52.03 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.01 -89.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . 70.74 -60.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.58 53.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 63' ' ' LEU . 7.5 tp -58.86 -64.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.62 ' HA ' HD23 ' A' ' 86' ' ' LEU . 95.5 t -55.15 -56.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.48 -31.02 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.47 -46.3 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -55.49 -42.72 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.416 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 15.2 t -64.69 -58.03 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.01 -30.1 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.488 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 1.7 ttp -68.38 -68.06 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -53.22 -19.41 3.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.993 ' O ' HG23 ' A' ' 95' ' ' VAL . 70.1 mt -87.7 -32.85 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.629 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.32 -21.36 56.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.513 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.5 -48.8 6.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.19 -17.73 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.993 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.8 t -49.0 -54.31 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -106.17 -32.21 8.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.736 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.83 32.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' LEU . 22.6 mt -82.26 -44.15 16.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.45 0.167 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.19 -60.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.81 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.595 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -40.5 -89.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.595 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 70.56 -66.6 0.78 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -55.07 -57.3 12.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -47.05 -46.2 20.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 t80 -57.79 -47.03 83.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.07 -23.72 61.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -68.04 -59.72 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.7 -42.07 92.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.7 t -53.08 -52.9 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -62.35 -32.85 73.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.32 -54.32 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.31 -23.61 76.3 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -51.89 44.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -65.69 -50.3 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.78 -42.07 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.12 -90.01 1.99 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' OH ' ' N ' ' A' ' 23' ' ' ARG . 9.2 t80 -47.01 109.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -59.18 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -169.3 148.26 3.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -74.7 -153.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.66 56.1 4.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.91 88.71 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -71.24 -51.62 9.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 61.2 5.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 3.9 m -117.23 -51.46 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.91 -47.16 32.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 tp -63.62 -27.93 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -67.1 -43.42 82.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.73 -54.65 24.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -43.07 63.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.5 -50.68 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.654 HG13 HG21 ' A' ' 59' ' ' THR . 16.2 t -57.83 -36.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.93 -38.95 75.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -56.49 11.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 35' ' ' VAL . 3.5 pp -60.23 -29.34 68.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -64.79 -60.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.6 -64.69 3.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -50.99 -34.26 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.81 -76.8 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 46' ' ' VAL . . . -43.93 -63.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 5.8 t80 68.18 -62.52 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -124.24 3.88 8.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.594 ' HB ' ' HB1' ' A' ' 43' ' ' ALA . 43.6 t -81.99 -4.05 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 93' ' ' ARG . 36.6 t -82.21 139.78 34.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.046 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 47' ' ' SER . 56.7 t30 75.03 -59.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -67.56 -10.34 50.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -155.87 -165.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.84 139.49 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.247 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -118.19 -59.0 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG21 ' HG3' ' A' ' 90' ' ' MET . 89.9 t -96.58 -12.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.52 -44.67 95.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.2 p -69.67 -38.58 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 t -52.59 -58.42 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -69.53 -64.1 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 18.9 t80 -37.08 -37.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.654 HG21 HG13 ' A' ' 35' ' ' VAL . 33.7 m -73.8 -60.95 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -41.34 -45.21 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CD2' ' HE3' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -68.77 -44.96 72.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.21 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -45.85 54.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -48.54 -53.0 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -56.53 -54.13 49.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.3 mm -48.6 -63.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.5 mmt -42.4 -67.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 50.86 39.73 40.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' GLY . 65.2 t -39.75 -61.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.87 87.79 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.15 93.92 9.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 -64.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.4 ttm-85 -160.37 86.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 p -171.41 151.66 3.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -99.54 -81.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HE3' ' CD2' ' A' ' 61' ' ' PHE . 1.9 mttm -120.09 50.11 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.86 -53.53 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.476 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -51.96 -52.39 62.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.901 ' O ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 62.0 5.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.45 -51.14 69.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.14 83.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -47.44 -68.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 79' ' ' PRO . 9.7 m -54.32 -42.9 59.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.21 -32.74 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.96 -45.01 10.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -51.74 -43.06 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -72.49 -56.25 5.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -31.01 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.5 ttp -76.01 -65.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.444 ' HG3' HG21 ' A' ' 53' ' ' VAL . 4.6 tmm? -40.26 -33.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.5 mt -85.39 -45.39 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -54.59 -20.1 7.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 47' ' ' SER . 0.0 OUTLIER -100.16 -44.17 6.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.1 tt -58.09 -18.32 24.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.78 -60.22 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.912 HD11 HD23 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -75.95 -40.78 53.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER 33.04 39.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 96' ' ' LEU . 1.4 pp -124.38 -58.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.912 HD23 HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.507 0.194 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -145.0 117.36 8.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -87.45 -63.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.648 HG23 ' H ' ' A' ' 5' ' ' GLY . 1.5 tt -40.93 -87.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.648 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 50.71 27.55 13.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -119.86 -54.9 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.614 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -58.0 -52.99 49.06 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.54 -43.09 93.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -23.36 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -64.13 -65.12 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.39 -42.25 73.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -54.85 -47.52 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -62.16 -37.23 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.61 -54.76 30.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.43 -28.46 71.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -48.86 65.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.2 mm -69.27 -68.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -42.85 -48.29 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' TYR . . . 57.4 57.57 19.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' GLY . 59.4 t80 56.93 113.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -50.74 123.74 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 59.51 113.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -59.3 5.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.41 -156.74 26.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.51 -40.97 2.25 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -62.61 -51.9 69.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 159.63 41.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 2.3 p -105.05 -31.29 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.79 -54.8 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -55.78 -28.21 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -66.45 -51.84 52.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.469 ' CA ' ' HA3' ' A' ' 85' ' ' GLY . . . -59.05 -59.79 10.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.29 -54.45 8.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CD1' HD23 ' A' ' 38' ' ' LEU . 58.2 t80 -47.8 -53.68 14.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.831 HG21 HD23 ' A' ' 82' ' ' LEU . 90.0 t -55.35 -33.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.54 72.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.24 -53.4 37.38 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -63.29 -26.63 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -63.81 -58.82 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.59 -63.71 3.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -48.52 -43.94 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -65.92 2.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.886 ' HB1' ' CG1' ' A' ' 46' ' ' VAL . . . -39.98 -66.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.527 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER 35.99 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 0.6 OUTLIER 86.67 -14.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.886 ' CG1' ' HB1' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -39.52 -30.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' ARG . 44.2 t -39.64 137.94 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.957 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 168.56 -70.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.08 2.96 25.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.62 29.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.15 110.99 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.48 -54.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.417 HG22 ' HB3' ' A' ' 90' ' ' MET . 64.8 t -97.77 -10.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 8.8 mttp -59.97 -48.88 79.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 8.1 p -73.25 -34.53 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -52.78 -57.41 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -72.58 -62.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 71.1 t80 -37.05 -41.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.571 ' CG2' HG13 ' A' ' 35' ' ' VAL . 87.1 m -72.8 -59.69 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -40.97 -43.15 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.589 ' CE2' ' NH2' ' A' ' 73' ' ' ARG . 2.4 m-85 -70.78 -44.7 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.48 -63.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.749 ' HB3' HD21 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.3 -43.95 71.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -48.63 -53.96 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -56.55 -51.28 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.99 -64.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -67.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 70' ' ' ARG . . . 59.8 54.79 34.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -40.37 -29.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' N ' ' C ' ' A' ' 68' ' ' GLY . 0.1 OUTLIER -130.02 166.15 20.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -38.93 -63.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.47 150.26 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.589 ' NH2' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -63.29 -49.87 72.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.1 t 68.33 -66.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 80.04 41.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -115.64 -79.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.2 tt -110.18 -22.39 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -44.78 -52.22 19.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 18.3 Cg_endo -75.0 -87.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 71.4 -60.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.413 ' CA ' ' OG ' ' A' ' 28' ' ' SER . . . -74.76 -40.75 36.3 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -59.51 -62.07 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.643 ' HA ' HD23 ' A' ' 86' ' ' LEU . 58.4 t -56.4 -54.47 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -50.54 -29.75 11.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 32' ' ' GLY . . . -70.9 -51.04 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -53.19 -43.6 67.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' MET . 0.3 OUTLIER -61.53 -59.11 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -30.64 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.3 ttp -66.14 -67.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' SER . 16.8 ptm -47.78 -31.09 4.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 95' ' ' VAL . 19.3 mt -79.08 -32.32 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -72.84 -22.42 60.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.47 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -90.49 -46.4 8.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -15.34 59.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.7 t -74.48 -65.97 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -59.67 -30.73 68.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' LEU . 4.3 tt 39.2 54.62 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER 38.36 44.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 3' ' ' LEU . 4.1 ptp . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.511 0.196 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER 61.01 -81.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -39.79 -50.81 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.641 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -39.9 -89.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.641 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 72.45 -70.65 1.08 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' ALA . 2.4 t80 -50.84 -53.8 29.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -50.63 -40.73 41.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -61.06 -56.24 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.34 64.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -65.42 -62.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.6 pp -58.92 -42.24 89.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.4 t -54.37 -50.31 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -62.29 -34.33 76.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.62 -51.66 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.83 -25.76 74.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -51.42 28.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.22 -63.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 21' ' ' LYS . 2.3 t80 -49.39 -46.51 47.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 51.49 56.69 14.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 41.38 93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -54.39 170.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.52 135.33 37.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -71.73 -152.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.9 -143.7 4.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.58 -76.75 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -66.17 -51.65 43.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.571 0.807 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.04 127.84 10.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 24.2 m -103.55 -33.35 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -52.67 48.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -60.46 -24.88 32.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -66.54 -57.37 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.96 -44.52 98.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -58.38 6.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -55.86 -39.91 72.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.71 HG21 HD13 ' A' ' 63' ' ' LEU . 2.9 t -61.22 -34.2 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.14 -42.54 50.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -49.15 78.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -68.52 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -58.75 -43.92 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.99 -59.07 4.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -48.17 -31.74 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -87.56 -36.36 8.73 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.491 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . . . -56.54 -34.31 66.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.14 -24.29 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.94 -13.47 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -73.42 -17.56 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 43.9 t -38.62 140.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' SER . 16.6 t-20 82.08 -54.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -74.33 -11.29 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 46' ' ' VAL . 4.4 mttt 179.45 132.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' CG ' ' H ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -40.6 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' H ' ' CG ' ' A' ' 51' ' ' ARG . 16.1 t0 170.67 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -89.21 -15.67 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 4.9 tttt -59.7 -46.15 89.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 14.9 p -70.73 -36.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -56.71 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -74.1 -63.32 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 9.0 t80 -36.4 -38.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 96.7 m -75.77 -60.89 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -40.43 -46.19 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -43.51 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -57.13 -63.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -55.29 -48.73 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' HB1' ' HB ' ' A' ' 69' ' ' VAL . . . -47.92 -42.24 26.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -73.21 -39.87 65.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.01 -59.21 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 ttp -69.07 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.33 42.95 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.564 ' HB ' ' HB1' ' A' ' 64' ' ' ALA . 87.6 t -74.46 -58.02 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.572 0.807 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.26 97.56 8.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -162.19 -53.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.12 97.81 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -40.65 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.58 103.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.84 56.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.21 52.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.5 mt -116.35 -40.33 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -48.71 -51.85 50.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.561 ' HG2' HG13 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.95 54.73 3.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.643 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -81.89 -44.15 17.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.45 -19.19 59.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD23 HG23 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -59.3 -79.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.773 HG23 HD23 ' A' ' 82' ' ' LEU . 49.1 t -64.66 -48.96 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -52.3 -30.74 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -51.54 9.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -49.2 -44.31 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -66.19 -54.0 30.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -20.83 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.05 -67.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -50.67 -22.11 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.2 tp -90.03 -42.27 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -30.01 62.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.649 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -94.23 -50.42 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 90' ' ' MET . 3.5 tp -55.22 -19.86 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.7 t -72.63 -76.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -40.56 -32.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.3 tt 39.13 52.52 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.643 HD21 HH12 ' A' ' 93' ' ' ARG . 0.2 OUTLIER 38.1 44.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HB3' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.479 0.181 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 45.32 91.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' A' ' 1' ' ' MET . 3.9 mm? -114.52 -56.49 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.785 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -47.81 -85.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.678 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 80.32 -57.62 4.66 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' ALA . 11.2 t80 -56.51 -61.61 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.785 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -39.0 -48.9 2.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -56.6 -45.7 81.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.32 -26.58 60.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -69.52 -55.21 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.83 -43.36 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.91 -49.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -63.88 -32.34 73.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -65.18 -52.47 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -23.75 77.18 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -53.82 20.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.78 -57.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -53.15 -35.05 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.55 -62.69 4.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -43.95 105.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -54.57 124.41 16.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -132.29 49.88 2.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 26' ' ' VAL . 5.5 ttm-85 -93.46 -64.61 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.04 49.58 6.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.47 48.37 44.7 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -75.93 -52.09 2.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.0 -170.58 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 2.8 m -105.51 -35.13 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -54.82 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 tp -55.3 -33.25 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -59.9 -53.4 58.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.52 -49.23 70.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -42.44 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -60.22 -49.89 75.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.777 HG13 ' CG2' ' A' ' 59' ' ' THR . 99.3 t -54.73 -38.97 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.87 -37.59 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -54.54 45.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.746 HD11 HG21 ' A' ' 59' ' ' THR . 4.6 pp -62.67 -34.83 77.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.576 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -57.18 -42.12 80.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.8 -59.63 5.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -45.83 -32.98 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.07 -32.62 12.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . . . -63.82 -24.19 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 0.721 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -61.19 -27.92 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -105.95 3.13 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.508 ' HA ' ' CB ' ' A' ' 50' ' ' LYS . 2.8 t -76.53 -0.45 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.0 t -38.95 158.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 47' ' ' SER . 2.1 t30 77.76 -72.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -159.46 -67.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 49.27 -162.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' NH2' HG23 ' A' ' 55' ' ' VAL . 2.2 mtp180 -70.84 156.05 40.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -112.8 -88.09 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.5 t -98.35 -10.87 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -49.57 -46.71 49.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.586 HG23 ' NH2' ' A' ' 51' ' ' ARG . 14.6 p -67.87 -37.56 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.62 -64.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -62.93 -64.44 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 64.8 t80 -36.35 -43.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.777 ' CG2' HG13 ' A' ' 35' ' ' VAL . 20.9 m -66.55 -58.49 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -45.89 -41.03 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -34.5 69.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -61.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 67' ' ' MET . 0.8 OUTLIER -57.03 -40.67 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -56.35 -56.36 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.7 m -56.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.0 mt -40.3 -53.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 3.1 mmt -48.57 -68.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.13 44.52 83.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -43.82 -48.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.59 159.91 33.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.44 102.14 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 156.65 31.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -41.93 -54.83 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.23 139.79 24.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -86.26 59.36 5.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -7.59 11.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 78' ' ' MET . 1.0 OUTLIER -117.42 -50.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.479 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -47.88 -52.66 37.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 55.52 4.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . -56.42 -52.57 64.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.45 -52.58 25.49 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -45.42 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.659 ' HA ' HD23 ' A' ' 86' ' ' LEU . 17.1 t -47.22 -55.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -41.89 -34.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.22 14.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -54.52 -37.76 65.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.5 t -72.48 -56.04 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -31.2 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.1 ttp -76.38 -54.06 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.06 -30.68 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 95' ' ' VAL . 5.3 tt -85.91 -40.76 14.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.666 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -62.14 -18.5 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.642 ' NH1' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -98.38 -47.03 5.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -64.45 -14.54 57.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 91' ' ' ILE . 4.1 t -72.94 -64.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.642 HD21 ' NH1' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -46.6 -31.66 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.718 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER 37.33 38.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER 37.94 38.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.516 0.198 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.39 -57.62 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -59.95 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.596 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -41.69 -88.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.596 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 71.71 -69.9 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -71.49 -52.04 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.701 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -41.61 -42.77 3.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.2 t80 -56.52 -59.33 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 -21.7 63.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -63.8 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -54.98 -39.91 69.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' TYR . 97.0 t -55.31 -48.76 76.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -62.52 -37.15 84.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.28 -53.75 50.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.3 -25.89 72.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -52.23 46.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.3 -63.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -42.2 -51.55 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.618 ' C ' ' CD1' ' A' ' 20' ' ' TYR . . . 51.08 48.02 47.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.118 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.627 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 36.4 p90 34.72 91.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -53.39 165.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.59 76.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.06 -172.16 48.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.82 90.5 0.23 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -56.16 -51.65 79.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.98 55.29 3.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.723 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 46.6 t -119.78 -40.09 2.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.07 -63.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.543 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -41.2 -37.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -62.57 -57.94 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.22 -53.76 40.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.127 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.0 -63.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.618 ' CD1' HD21 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -44.78 -58.37 3.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.576 ' CG2' HD12 ' A' ' 82' ' ' LEU . 35.3 t -44.34 -40.81 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.21 -45.94 83.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -42.09 62.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.749 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.69 -39.94 73.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.96 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.69 -61.19 4.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -42.63 -37.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 0.731 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.86 -38.85 9.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.34 -18.23 57.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -86.52 -29.12 22.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -80.51 0.58 33.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -60.77 -15.3 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.74 11.18 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -147.96 -62.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -75.54 -21.28 58.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.1 tttt 49.8 31.39 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.12 174.91 1.01 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.93 -78.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -104.12 -10.77 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -47.81 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.2 p -64.01 -30.13 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -57.64 11.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.23 -57.81 10.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -50.84 -29.8 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 HD12 ' A' ' 38' ' ' LEU . 1.4 m -71.01 -52.58 18.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.894 ' HB2' HD22 ' A' ' 86' ' ' LEU . . . -56.68 -45.27 81.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.36 -31.44 70.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -71.96 -66.8 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 82' ' ' LEU . 7.8 tp -52.87 -35.61 57.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -60.78 -65.52 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -51.23 -57.43 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.2 mm -46.96 -60.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mtt -43.3 -66.53 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 60.68 16.1 43.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.596 HG21 ' HG2' ' A' ' 78' ' ' MET . 63.1 t -40.37 -63.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -159.38 107.05 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -84.4 81.26 8.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.94 -77.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -173.86 116.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 t -107.48 169.14 8.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.77 46.64 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.77 58.1 5.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 78' ' ' MET . 3.0 mt -108.0 -84.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.596 ' HG2' HG21 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -65.39 -50.55 57.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.702 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 18.3 Cg_endo -74.97 -161.4 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 85.95 -56.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.99 96.51 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 60' ' ' ALA . 10.2 tp -56.98 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.951 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.6 t -47.1 -47.9 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -52.47 -31.37 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -75.01 -51.72 7.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.951 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -50.02 -38.85 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -70.33 -58.7 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -47.47 -24.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.403 ' N ' ' C ' ' A' ' 87' ' ' SER . 1.9 ttp -78.79 -61.37 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.451 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.5 ppp? -48.34 -27.01 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.824 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -87.52 -41.23 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -58.95 -23.05 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -56.6 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -23.08 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.1 t -60.8 -64.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -47.49 -31.26 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.0 tt 39.34 53.21 2.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER 38.03 43.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.535 0.207 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -158.75 149.28 19.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -62.12 1.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.621 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -44.32 -89.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.621 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 72.65 -59.53 1.65 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -60.65 -58.85 6.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.76 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.758 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -49.41 -49.86 31.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -52.81 -56.57 14.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.14 62.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -67.9 -65.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.89 -39.52 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -54.63 -52.69 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -61.58 -33.46 73.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.47 -51.33 63.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.06 -25.1 75.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -52.84 22.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -69.23 -60.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -51.04 -39.86 56.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.48 -80.91 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 43.35 50.13 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 0.725 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -45.42 130.94 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -179.31 67.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -158.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.21 153.04 23.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.55 46.9 7.66 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -73.91 -51.57 4.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.616 ' CG ' HD13 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.95 -169.96 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.734 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 8.9 m -115.51 -55.38 2.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -43.98 -64.0 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.616 HD13 ' CG ' ' A' ' 27' ' ' PRO . 4.3 mp -49.13 -30.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -69.12 -36.18 77.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -70.16 -50.89 25.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -41.33 81.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.43 -45.91 88.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 HD11 ' A' ' 63' ' ' LEU . 14.9 t -59.52 -35.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -68.99 -45.74 61.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.41 -55.37 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.38 -34.13 73.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -57.49 -45.66 84.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.94 -62.13 4.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -43.86 -39.85 4.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -79.66 -33.84 33.16 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . . . -57.15 -36.83 71.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.587 ' CZ ' HD13 ' A' ' 96' ' ' LEU . 1.4 m-85 -56.7 -29.53 62.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 -20.24 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -68.42 -13.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' VAL . 44.4 t -37.9 137.28 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 47' ' ' SER . 1.1 m-20 163.62 -70.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -74.77 -12.29 60.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 6.2 tptt 86.25 29.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -66.58 142.98 57.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.52 -66.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.478 HG22 ' CB ' ' A' ' 90' ' ' MET . 49.1 t -109.89 -10.74 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -50.3 -52.99 31.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.1 p -62.99 -33.43 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -61.83 2.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.08 -64.56 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -40.24 -33.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 2.5 m -70.42 -60.65 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.915 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -44.57 -44.57 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.38 -46.87 84.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CD1' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -65.12 -68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -44.17 -37.06 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.04 -68.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -53.61 -60.47 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 62' ' ' PHE . 73.6 mt -42.81 -54.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 63' ' ' LEU . 2.9 mmt -48.85 -68.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 48.37 42.65 26.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.518 HG11 ' SD ' ' A' ' 78' ' ' MET . 88.7 t -40.42 -57.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.61 -59.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.52 -48.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.22 79.98 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.99 -45.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.8 p -136.8 146.41 45.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.52 52.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -72.38 60.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.85 -51.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.518 ' SD ' HG11 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -54.07 -53.87 53.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 55.18 3.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.693 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -73.81 -48.82 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.83 -25.21 63.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.915 HD23 ' HA ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -57.93 -78.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.678 ' HA ' HD23 ' A' ' 86' ' ' LEU . 71.5 t -63.24 -56.6 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -46.33 -31.53 2.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.77 -52.53 11.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -50.74 -42.66 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.43 4.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -28.73 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.2 ttp -68.64 -67.19 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' HG22 ' A' ' 53' ' ' VAL . 6.0 ptm -53.08 -22.33 5.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 95' ' ' VAL . 10.4 mm -80.62 -39.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -78.77 -12.48 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.826 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -90.15 -52.68 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.9 tt -57.23 -18.24 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 91' ' ' ILE . 7.0 t -73.59 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -46.66 -30.92 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER 37.24 38.86 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER 37.38 34.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.271 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.465 0.174 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.24 125.37 29.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -68.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.602 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -42.4 -90.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.6 -44.43 3.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -57.98 -57.65 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.5 93.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.706 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 t80 -59.48 -47.59 84.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.54 63.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.43 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.01 -41.71 83.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 8' ' ' TYR . 17.3 t -55.42 -48.92 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -63.02 -34.03 76.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -65.34 -53.24 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.37 -26.17 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -51.07 46.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.08 -61.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 21' ' ' LYS . 2.2 t80 -44.9 -50.15 10.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.19 57.68 3.01 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 47.81 90.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 2.3 tttt -49.1 133.17 18.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -117.92 92.55 3.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -44.29 60.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.03 153.07 35.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.3 -81.57 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -71.87 -51.1 9.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.98 131.0 13.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.542 ' OG ' HD12 ' A' ' 82' ' ' LEU . 12.5 t -91.96 -31.61 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -56.73 18.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -30.93 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.33 94.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.7 -49.06 66.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -53.14 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -53.53 -51.27 63.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 ' CG1' HG21 ' A' ' 59' ' ' THR . 2.4 t -50.89 -40.89 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -28.64 68.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -50.98 62.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -42.17 89.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.29 67.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.31 -52.55 39.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -52.36 -30.47 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 44' ' ' TYR . . . -81.13 -67.33 1.54 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 47' ' ' SER . . . -41.68 -28.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.42 ' N ' ' C ' ' A' ' 42' ' ' GLY . 3.7 t80 -36.84 -60.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.82 -0.32 7.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.63 -11.78 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 29.5 t -63.87 148.44 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 47' ' ' SER . 1.1 t-20 77.62 -58.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -67.62 -10.78 55.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -155.91 -177.51 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.61 173.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' OD2' ' CB ' ' A' ' 47' ' ' SER . 6.9 m-20 -160.61 -65.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.86 HG22 ' HA ' ' A' ' 90' ' ' MET . 69.6 t -91.48 -29.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 8.3 mttt -60.19 -42.23 94.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.1 p -70.98 -31.76 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.412 ' OG ' ' CB ' ' A' ' 89' ' ' MET . 0.3 OUTLIER -58.56 -54.06 51.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.66 -60.12 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 6.9 m-85 -44.49 -39.68 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.54 HG21 ' CG1' ' A' ' 35' ' ' VAL . 20.7 m -69.33 -55.62 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.7 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -48.48 -43.15 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -37.64 79.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -67.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.772 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -49.22 -40.47 33.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -58.21 -51.99 67.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -57.59 -53.43 58.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.42 -63.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.65 -61.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.66 28.41 1.61 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.426 1.079 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.8 t -41.56 -53.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.11 92.26 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -56.75 134.52 55.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -136.65 173.7 11.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 74' ' ' SER . 26.0 ptt180 -83.36 -24.59 31.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 73' ' ' ARG . 4.4 p 165.86 72.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -116.81 -52.25 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.38 42.89 29.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.3 tt -104.27 -13.86 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -74.11 -52.37 4.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -74.96 55.35 3.9 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -53.83 -53.85 46.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.66 -31.96 47.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.772 HD21 ' CB ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -58.77 -61.72 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.7 t -64.66 -50.43 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -49.43 -32.1 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.43 -47.03 13.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -50.36 -44.94 54.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 86' ' ' LEU . 1.8 m -68.91 -51.83 35.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -39.89 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.654 ' SD ' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -71.93 -61.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.86 ' HA ' HG22 ' A' ' 53' ' ' VAL . 1.6 ttm -47.18 -25.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 95' ' ' VAL . 18.8 mt -86.91 -46.56 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.654 HD22 ' SD ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -52.63 -27.5 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.71 -47.98 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.21 -16.05 29.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.3 t -69.08 -44.49 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -92.66 24.99 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.619 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.0 tt 37.51 41.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 97' ' ' LEU . 2.3 pp 35.73 35.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.524 0.202 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.31 161.56 8.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.2 -75.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.597 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.7 OUTLIER -41.86 -89.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 75.92 -57.42 3.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -58.0 -61.56 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.59 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -52.71 -40.42 56.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.842 ' O ' HG23 ' A' ' 12' ' ' VAL . 37.4 t80 -60.31 -54.36 46.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.59 -21.24 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.89 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.46 -39.05 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 8' ' ' TYR . 65.1 t -54.8 -50.73 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -61.97 -37.32 84.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.29 -55.03 36.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.83 -25.71 71.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -46.4 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.76 -62.69 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -43.54 -50.33 7.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.97 -48.36 0.95 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 57.04 43.59 24.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.63 -72.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.96 37.21 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -151.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.54 160.3 1.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.07 79.81 1.45 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -73.55 -51.76 5.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.98 171.95 17.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -107.1 -28.71 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -44.79 66.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.4 pp -68.36 -23.09 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -67.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.9 94.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -45.19 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.49 -45.21 94.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.723 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 86.4 t -64.83 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.34 -40.33 80.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -65.54 -57.92 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.42 -24.38 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -65.86 -53.39 40.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.29 -62.3 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -53.14 -49.6 66.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.98 -53.23 44.52 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 39' ' ' ALA . . . -44.04 -55.0 5.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.5 t80 54.07 19.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.2 3.28 9.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' A' ' 51' ' ' ARG . 95.9 t -62.82 -13.72 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.54 10.53 29.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -98.37 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.41 0.6 56.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.4 tttt 69.95 29.93 3.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HB2' HG13 ' A' ' 46' ' ' VAL . 3.7 mtm180 -54.75 -179.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.64 -70.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 90' ' ' MET . 18.5 t -107.31 -11.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -56.64 -50.59 71.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.9 p -63.68 -30.23 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -59.34 -60.1 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.628 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -59.2 -61.55 2.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.27 -33.14 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 1.9 m -69.9 -55.26 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.711 ' O ' HD11 ' A' ' 82' ' ' LEU . . . -53.17 -44.32 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -39.78 95.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.424 ' HD2' HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.36 -55.97 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.37 -36.5 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.596 ' HB2' HD21 ' A' ' 82' ' ' LEU . . . -63.61 -61.05 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 62' ' ' PHE . 6.4 t -62.25 -12.19 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 67' ' ' MET . 27.1 mt -83.42 -72.23 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.465 ' N ' HG22 ' A' ' 66' ' ' ILE . 3.7 mtm -78.93 -50.14 11.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.8 37.39 0.67 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.974 HG11 ' HB2' ' A' ' 82' ' ' LEU . 48.0 t -56.57 -66.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.63 110.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.35 -51.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.04 179.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -127.2 126.11 42.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m 178.52 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 77' ' ' ILE . 34.8 mttt -78.59 -46.39 19.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mttt 64.46 48.12 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 75' ' ' LYS . 18.0 mt -108.38 -69.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.479 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -74.51 -51.68 4.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.799 ' HA ' HG13 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.01 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.691 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 77.81 -58.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.43 56.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.974 ' HB2' HG11 ' A' ' 69' ' ' VAL . 3.6 tp -53.09 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HA ' HD23 ' A' ' 86' ' ' LEU . 81.6 t -66.67 -61.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -39.96 -33.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.05 -52.93 8.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -46.04 -43.51 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.483 ' N ' HD12 ' A' ' 86' ' ' LEU . 1.4 t -67.52 -57.34 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -46.12 -25.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' SER . 2.0 ttp -79.0 -63.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.822 ' HE3' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -45.88 -26.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.822 HD12 ' HE3' ' A' ' 90' ' ' MET . 0.4 OUTLIER -89.49 -41.65 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.676 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.98 -25.06 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.599 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.11 -50.26 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.3 tt -51.98 -22.19 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 96' ' ' LEU . 2.3 t -65.99 -65.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -71.26 -44.64 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.87 32.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -105.15 -36.7 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' HB3' ' NH2' ' A' ' 93' ' ' ARG . 2.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.538 0.209 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.51 -58.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.25 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.617 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -44.25 -90.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.617 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 67.77 -67.74 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' ILE . 5.6 t80 -64.25 -50.96 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -40.58 -54.87 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -45.6 -58.6 3.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.05 66.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.73 -65.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -54.84 -41.2 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.87 -46.36 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -62.76 -40.72 98.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -61.06 -54.51 43.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.68 -28.49 71.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.18 -49.34 67.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.31 -67.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.96 -53.36 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 50.93 57.61 10.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 42.88 93.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -55.57 157.01 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.74 88.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -67.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.31 179.66 29.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.093 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.26 93.26 0.56 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -64.0 -51.79 60.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.97 56.11 4.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.677 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 13.1 m -119.26 -67.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -61.16 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -41.63 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -53.29 -64.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.58 -58.13 13.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CD2' HD23 ' A' ' 38' ' ' LEU . 5.2 t80 -50.07 -49.89 49.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.984 HG22 ' CG2' ' A' ' 59' ' ' THR . 57.9 t -57.63 -31.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.14 60.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -57.52 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 59' ' ' THR . 2.6 pp -60.11 -33.24 71.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.713 ' HB1' ' SD ' ' A' ' 89' ' ' MET . . . -56.29 -54.53 44.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.15 -52.21 53.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 6.0 t80 -51.62 -32.85 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.983 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.35 -55.78 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.94 -12.88 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.539 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 2.0 t80 -64.51 99.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 0.0 OUTLIER 88.06 -23.4 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 0.9 OUTLIER 71.19 3.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.94 11.31 39.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.027 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 41' ' ' TYR . 5.6 m-20 -98.44 -77.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.19 11.32 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.8 tttt 55.25 -113.57 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -45.78 171.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.557 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.5 m-20 -109.81 -61.22 1.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.4 t -48.76 -25.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.58 -39.12 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -79.26 -27.56 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.456 ' HB3' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -64.82 -53.12 51.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.031 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -69.32 -50.35 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -55.15 -29.97 58.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.984 ' CG2' HG22 ' A' ' 35' ' ' VAL . 2.8 m -75.11 -53.92 8.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.922 ' HA ' HD22 ' A' ' 82' ' ' LEU . . . -52.55 -46.25 66.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HD23 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -63.54 -47.82 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.511 ' CE2' HG13 ' A' ' 66' ' ' ILE . 60.8 t80 -62.54 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.606 ' HB3' HD21 ' A' ' 82' ' ' LEU . 1.1 tp -41.59 -43.96 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -55.39 -49.19 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 62' ' ' PHE . 1.7 m -64.18 -56.9 11.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.511 HG13 ' CE2' ' A' ' 62' ' ' PHE . 4.1 mm -44.09 -55.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -57.36 13.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' VAL . . . 76.33 28.6 59.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 ' HD3' ' A' ' 79' ' ' PRO . 21.2 t -40.34 -59.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.79 139.41 11.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -90.31 81.34 6.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -168.8 105.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -73.4 59.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 t -153.51 -63.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.82 -73.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttm 39.97 53.76 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.3 tt -89.95 -39.5 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.49 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -79.25 -51.63 1.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.729 ' HD3' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.93 56.97 4.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -87.49 -41.97 13.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.69 -26.61 71.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.922 HD22 ' HA ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -60.44 -74.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.64 -55.36 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -48.14 -30.95 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.82 -49.41 17.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.423 1.077 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.33 -46.11 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.446 ' N ' HD12 ' A' ' 86' ' ' LEU . 15.9 m -61.95 -58.66 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.89 -22.06 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.713 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -74.04 -64.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 5.7 ptp -49.84 -34.39 19.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.939 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -81.9 -32.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -66.18 -25.45 66.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.436 ' CD ' HD21 ' A' ' 98' ' ' LEU . 6.1 mmt-85 -93.47 -44.94 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -63.02 -13.77 39.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.4 t -48.67 -50.52 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.659 HD11 ' CD2' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -97.45 23.75 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.4 tt 35.97 48.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.659 ' CD2' HD11 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -98.57 -44.28 6.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptt? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.5 0.191 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -63.13 117.52 6.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -102.73 -60.02 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.715 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -47.69 -95.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.593 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.86 -44.36 3.34 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.17 -62.42 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 0.779 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.779 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -44.58 -50.05 8.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.7 t80 -50.04 -56.93 8.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -20.02 63.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.779 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -40.95 78.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 8' ' ' TYR . 53.9 t -55.45 -49.59 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -62.85 -33.59 75.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.459 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.84 -53.03 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.85 -25.17 74.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -56.15 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.08 -56.64 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -47.27 -47.0 25.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.68 -63.8 2.96 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 54.89 166.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -55.73 158.04 3.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.9 158.15 28.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -76.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.14 168.14 35.08 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.469 ' HA2' ' CZ ' ' A' ' 70' ' ' ARG . . . 70.01 86.86 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -56.02 -51.72 78.3 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.01 54.37 3.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 29.3 m -120.54 -67.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -49.34 -64.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 tp -41.78 -39.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -61.58 -48.78 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -64.94 -60.0 7.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -47.01 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -60.23 -53.42 57.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.882 HG21 HD13 ' A' ' 82' ' ' LEU . 69.0 t -55.04 -31.49 25.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.78 -35.3 40.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -41.36 89.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -73.38 -35.65 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.15 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.08 -51.26 59.57 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.02 -27.82 67.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.58 -74.64 0.89 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.79 -57.0 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.744 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 30.1 t80 60.09 96.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 44' ' ' TYR . 7.1 ttt180 88.06 -35.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 46' ' ' VAL . 21.3 t 63.18 11.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' VAL . 1.8 t -45.99 171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -71.4 71.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -157.34 -45.01 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -106.73 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' CD ' ' HB ' ' A' ' 55' ' ' VAL . 1.1 ptm180 -67.35 -177.13 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.58 -78.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.6 t -105.06 -11.0 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -55.02 -42.46 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.2 p -70.2 -36.9 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.48 -56.71 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' PHE . 2.1 tt -72.2 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 37.1 t80 -36.91 -42.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 87.0 m -70.79 -58.38 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 1.013 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -42.89 -42.2 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -46.72 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.83 -65.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.802 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -48.13 -50.09 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -46.18 -64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -45.18 -42.9 9.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.63 -73.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.0 mtt -43.55 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.22 28.18 25.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.04 -79.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.469 ' CZ ' ' HA2' ' A' ' 25' ' ' GLY . 2.6 tpt180 -43.16 136.68 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -109.37 -35.96 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.69 -156.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -134.58 122.61 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -109.76 -65.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -83.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.88 ' HD2' HG11 ' A' ' 83' ' ' VAL . 5.9 mttm -91.26 -91.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -122.39 -101.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.589 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -82.97 -57.7 0.43 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.94 86.02 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . -83.53 -47.62 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.5 -37.56 27.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -59.31 -59.54 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.88 HG11 ' HD2' ' A' ' 76' ' ' LYS . 76.0 t -61.06 -49.65 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -49.56 -32.62 12.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.2 -52.2 9.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -50.02 -37.52 33.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -53.42 16.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.33 -24.08 41.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 ttp -75.97 -68.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' HD12 ' A' ' 91' ' ' ILE . 1.4 ptm -49.97 -24.66 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.904 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -88.25 -35.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -25.55 67.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -46.14 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.2 -16.68 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.0 t -41.15 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -93.32 -28.63 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.3 tt 36.72 39.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' HB2' HD12 ' A' ' 96' ' ' LEU . 15.5 mt -95.76 -44.58 7.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.491 0.186 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.55 98.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -77.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.583 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -42.76 -89.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.583 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 84.11 -47.13 3.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.155 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.24 -57.31 13.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.587 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -53.43 -51.09 49.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.7 t80 -48.39 -50.52 30.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 0.808 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.81 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -65.37 -64.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.61 -41.09 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.9 t -52.93 -52.8 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -61.73 -34.65 76.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.88 -55.44 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.18 -24.78 73.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.59 46.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.88 -53.43 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.78 -37.39 29.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.22 -78.53 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 57.12 95.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -56.47 166.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -165.09 31.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -150.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.73 153.24 13.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.538 1.149 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.0 73.38 0.07 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -68.03 -51.73 26.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.1 Cg_endo -75.02 147.64 34.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.802 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.587 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 22.1 t -114.78 -35.74 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 pp -48.51 -45.07 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.429 HG22 ' HB2' ' A' ' 27' ' ' PRO . 1.4 tp -67.14 -26.32 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -66.79 -55.31 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.74 93.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.22 -41.9 76.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.1 -47.4 86.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.63 -37.19 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.27 -34.05 61.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -51.11 56.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -63.16 -34.05 76.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.79 -58.06 10.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.21 -67.2 2.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -45.97 -31.21 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.69 -77.33 0.63 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB1' ' HB ' ' A' ' 46' ' ' VAL . . . -42.4 -62.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 54.55 44.81 28.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 166.87 -30.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.573 ' HB ' ' HB1' ' A' ' 43' ' ' ALA . 67.4 t -66.82 -10.74 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -89.71 143.68 26.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 t30 70.64 -62.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -69.47 -9.16 52.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.73 -163.15 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.18 142.78 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -124.39 -65.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.766 HG22 ' HB2' ' A' ' 90' ' ' MET . 19.3 t -93.41 -15.35 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 58' ' ' PHE . 2.1 mmtt -57.84 -48.81 78.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' THR . 4.6 p -65.51 -33.2 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.43 -60.24 3.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -63.07 -63.81 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 7.7 m-85 -40.88 -36.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' VAL . 3.2 m -67.1 -58.81 4.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.536 ' O ' HD21 ' A' ' 82' ' ' LEU . . . -47.98 -43.25 29.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -41.87 95.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.437 ' O ' HG22 ' A' ' 65' ' ' THR . 1.6 t80 -67.48 -65.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.97 -42.52 6.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.71 80.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -71.28 -9.51 58.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.4 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 mm -89.87 -70.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -44.08 62.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.15 18.03 18.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 79' ' ' PRO . 89.6 t -40.37 -73.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -74.73 95.57 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -132.37 -57.68 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 173.97 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.355 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 -82.42 89.55 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.0 t -96.69 170.87 8.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.9 55.51 3.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt 43.52 54.05 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 78' ' ' MET . 5.5 mt -99.18 -76.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.526 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -70.46 -49.9 15.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 18.3 Cg_endo -74.98 -161.3 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 86.06 -61.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.0 -24.86 52.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD21 ' O ' ' A' ' 60' ' ' ALA . 1.5 tp -60.37 -83.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.626 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -55.13 -45.02 77.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -54.96 -30.54 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.71 -47.65 19.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -53.7 -42.73 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.2 m -68.06 -53.76 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -24.13 18.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.49 -62.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.766 ' HB2' HG22 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -56.19 -21.15 21.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 95' ' ' VAL . 16.9 mt -86.22 -40.37 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.647 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -64.62 -27.76 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.709 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.3 -48.87 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -15.43 58.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 t -75.3 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -52.37 -32.39 38.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.0 tt 39.98 54.43 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.22 40.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.505 0.193 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -158.62 149.08 19.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.374 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ILE . 4.9 mt -48.88 -63.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.697 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -46.49 -93.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 76.4 -57.02 3.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -56.67 -57.59 11.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.697 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -46.25 -52.94 9.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.725 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.7 t80 -47.73 -50.96 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.67 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -62.58 -63.68 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.84 -43.22 76.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 8' ' ' TYR . 24.9 t -53.92 -48.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.0 m -61.89 -36.74 82.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.434 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -64.12 -52.65 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.74 -27.37 71.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -50.39 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.5 mm -67.24 -66.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -42.58 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.09 -74.71 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.11 93.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 122.55 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -156.97 88.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -58.21 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.7 -142.86 8.13 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.37 59.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -65.34 -51.77 50.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.01 -174.61 2.0 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.849 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 62.2 m -105.69 -32.45 8.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -62.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.948 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -52.58 -21.76 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -70.06 -56.76 6.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.44 -39.84 97.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -61.45 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.28 -52.14 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 59' ' ' THR . 55.3 t -52.96 -39.14 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.52 -29.13 66.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.76 30.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -36.27 78.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -58.13 -44.11 87.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.3 -53.71 10.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -49.84 -31.28 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 48' ' ' ASN . . . -84.72 -53.07 3.3 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' TYR . . . -47.07 -28.98 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -36.29 -66.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -84.01 -19.12 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER 77.32 -1.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.01 11.47 27.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' HB2' ' CA ' ' A' ' 42' ' ' GLY . 28.6 t30 -83.12 -70.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.61 14.39 6.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.2 mttt 72.1 -92.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 58' ' ' PHE . 2.9 mtp180 -39.74 153.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -115.24 -65.31 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.1 t -88.64 -25.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.5 p -72.41 -37.07 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -53.43 -59.73 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.55 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 93.4 t80 -37.37 -38.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.598 HG21 HG11 ' A' ' 35' ' ' VAL . 20.0 m -70.57 -60.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -41.18 -42.74 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.81 -42.69 73.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -63.51 -63.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -53.36 -40.81 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -53.44 -54.17 40.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' ILE . 1.3 m -62.64 -59.76 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' THR . 8.9 mm -39.96 -50.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.73 35.31 11.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.764 HG11 ' HD3' ' A' ' 79' ' ' PRO . 97.6 t -59.79 -29.72 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.93 105.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.479 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 5.9 t80 -166.44 50.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 71' ' ' PHE . 1.5 mttp 168.27 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 58.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m 167.59 123.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -111.48 -49.49 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.43 57.74 4.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 78' ' ' MET . 1.4 tp -119.56 -56.02 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.534 ' N ' HG23 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -79.72 -52.36 1.09 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.764 ' HD3' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.94 55.68 3.99 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -73.99 -47.32 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.29 -13.78 60.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.749 HD23 HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -62.48 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.749 HG13 HD23 ' A' ' 82' ' ' LEU . 2.6 m -65.45 -38.39 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -60.26 -30.57 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.06 -47.53 9.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.677 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -56.04 -37.04 68.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -71.94 -51.15 23.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -56.5 -24.01 43.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -70.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -48.95 -24.57 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -87.44 -42.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -55.8 -30.07 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.505 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -92.6 -44.5 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.37 -15.23 63.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.3 t -75.82 -67.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -51.27 -31.1 20.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.515 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.8 tt 39.11 52.1 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.78 43.42 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 ttt . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.473 0.178 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 54.46 94.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -70.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.611 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -45.05 -91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.611 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 84.61 -50.54 4.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.83 -56.53 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.08 -50.83 57.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.618 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.6 t80 -51.66 -50.18 60.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.62 77.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.5 -64.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.8 pp -53.09 -39.67 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.4 t -56.61 -47.48 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -62.78 -36.31 82.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.67 -54.27 34.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.38 -27.69 71.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -47.36 64.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -69.25 -68.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.03 -45.03 61.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' O ' ' CD2' ' A' ' 20' ' ' TYR . . . 108.1 -45.28 1.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER 168.02 107.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -49.55 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 179.81 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -81.53 -154.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.85 84.26 1.79 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.12 72.42 0.88 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -59.79 -51.46 80.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.03 52.39 3.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.517 1.799 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 20.7 m -119.99 -59.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.057 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -63.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -40.93 -37.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -63.13 -61.1 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.85 -60.0 9.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -41.31 -57.16 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -48.88 -52.73 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.12 -31.57 37.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.67 -32.63 59.13 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -46.94 67.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -68.39 -32.49 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB1' ' SD ' ' A' ' 89' ' ' MET . . . -64.89 -55.52 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.43 -51.09 60.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -60.06 -30.28 69.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.66 -74.46 0.78 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 44' ' ' TYR . . . -53.95 -59.0 5.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 2.2 t80 69.14 -59.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -121.63 -1.05 9.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER 77.0 -1.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.6 170.88 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 t30 70.32 -69.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -9.65 58.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 60.83 -108.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -46.38 162.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 3.6 t0 -114.81 -41.73 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.37 -11.18 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 15.2 tttt -67.36 -44.9 77.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 52' ' ' ASP . 1.4 p -74.62 -34.93 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -56.06 -57.49 11.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.676 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.3 tm? -68.56 -61.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 7.2 t80 -40.26 -39.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.5 ' CG2' HD21 ' A' ' 38' ' ' LEU . 21.2 m -69.54 -58.5 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -45.72 -42.03 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -39.46 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 65' ' ' THR . 0.1 OUTLIER -65.51 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -54.66 -38.89 67.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -59.68 -65.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 62' ' ' PHE . 14.5 t -55.37 -19.56 9.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 67' ' ' MET . 24.8 mt -77.57 -73.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.486 ' N ' HG22 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -60.87 -60.3 4.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.59 43.97 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.725 HG13 ' HB3' ' A' ' 79' ' ' PRO . 20.3 t -71.6 -31.37 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -59.14 3.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -77.58 112.7 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -169.18 159.15 8.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -128.84 75.61 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.5 t 61.15 77.5 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -119.96 -46.47 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 39.49 36.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 78' ' ' MET . 5.3 mt -113.47 -70.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.503 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 2.7 mtt -73.96 -50.84 5.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.725 ' HB3' HG13 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 79' ' ' PRO . . . 84.09 -53.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.64 -25.84 70.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -61.01 -79.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.584 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -51.33 -42.81 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -56.91 -30.98 64.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.59 -47.22 16.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -53.56 -45.87 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -64.26 -55.89 18.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.052 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.36 -23.73 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.504 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -74.84 -68.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 2.3 ptp -49.28 -25.6 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 95' ' ' VAL . 14.1 mt -80.8 -46.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -56.7 -29.57 62.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.538 ' N ' HD23 ' A' ' 92' ' ' LEU . 6.9 mmt180 -83.33 -52.15 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.366 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -17.55 62.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 91' ' ' ILE . 3.8 t -72.94 -73.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.47 ' N ' HG12 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -52.91 -32.13 43.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.7 tt 39.84 53.15 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER 36.91 39.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.512 0.196 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.14 148.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.78 -70.81 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.624 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -44.15 -89.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.624 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.8 -44.14 3.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.19 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -44.42 -46.64 8.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 12' ' ' VAL . 17.3 t80 -57.38 -46.91 82.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.69 -31.34 66.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -61.39 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pp -56.48 -42.78 78.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.7 t -52.69 -52.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 m -60.95 -33.66 73.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -55.97 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.41 -26.37 70.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -47.59 59.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.36 -44.5 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -44.92 92.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.08 -45.1 1.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 38.3 88.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 0.748 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.99 113.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.07 155.69 11.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.584 ' HG2' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -86.6 -76.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 40.99 58.48 2.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.4 98.39 1.97 Allowed Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.584 HG23 ' HG2' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -72.52 -51.46 7.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.96 0.34 9.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 3.3 m -82.71 -66.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -40.07 -62.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.7 tp -45.25 -41.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -55.82 -54.03 49.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.34 -59.34 10.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -44.68 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.98 -56.44 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.516 HG22 HG22 ' A' ' 59' ' ' THR . 3.6 t -48.52 -40.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . -69.25 -35.34 76.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -52.88 63.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -30.29 71.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . -56.79 -52.1 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 -68.27 1.55 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -44.23 -26.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.02 -53.94 3.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.502 ' N ' ' NH1' ' A' ' 51' ' ' ARG . . . -45.51 -33.71 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.736 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -32.58 55.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -21.02 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.542 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 2.6 t -82.51 4.05 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 6.0 t -42.91 165.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.039 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 47' ' ' SER . 9.8 t-20 84.57 -58.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -37.66 88.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.77 88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.638 HH21 HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -61.14 159.11 12.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.737 ' HA ' HD21 ' A' ' 99' ' ' LEU . 30.3 t0 -169.55 85.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER 77.09 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.9 mttp -42.79 -43.16 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.638 HG21 HH21 ' A' ' 51' ' ' ARG . 0.5 OUTLIER -77.35 -35.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 t -54.43 -51.76 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -71.09 -57.8 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 54' ' ' LYS . 3.2 m-85 -43.52 -37.15 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.516 HG22 HG22 ' A' ' 35' ' ' VAL . 61.8 m -74.99 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 1.013 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -41.75 -44.85 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -43.81 67.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.66 -64.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.884 ' CB ' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -54.0 -43.28 69.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -52.49 -56.52 14.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -57.67 -60.41 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.1 mm -40.44 -56.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.2 mmt -55.84 -61.05 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.36 44.77 89.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.1 t -51.49 -33.25 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 78' ' ' MET . 39.1 ttt-85 -83.15 -60.06 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -166.9 -54.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.63 -69.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -108.21 137.72 45.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.43 -65.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 tttm 45.69 59.55 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -102.57 -90.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 tt -115.25 -10.23 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.73 -52.12 73.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.95 55.6 3.97 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.481 1.78 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -55.45 -51.54 66.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.464 ' HA3' ' CA ' ' A' ' 28' ' ' SER . . . -69.63 -36.12 75.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -57.88 -71.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.2 t -52.71 -55.15 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 80' ' ' ALA . . . -47.23 -31.53 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.78 29.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -55.24 -44.36 75.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.5 m -66.77 -55.67 13.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.502 HD23 HD23 ' A' ' 92' ' ' LEU . 3.3 tt -53.13 -24.68 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 null -74.73 -61.31 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -58.52 -19.03 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.986 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -87.01 -45.88 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -70.21 -15.0 62.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.256 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -97.7 -41.3 8.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.761 HD23 ' O ' ' A' ' 94' ' ' LEU . 7.1 tt -77.28 -1.17 28.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.1 t -66.12 -46.8 86.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -94.65 26.68 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER 37.3 33.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' CD2' HD11 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -80.97 -43.19 20.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.737 HD21 ' HA ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.529 0.204 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 56.72 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -72.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.617 HD11 ' HA3' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -45.87 -93.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 85.94 -49.63 4.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -58.1 -56.19 25.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.617 ' HA3' HD11 ' A' ' 4' ' ' ILE . . . -46.89 -52.64 11.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 t80 -53.42 -45.03 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.48 63.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -57.67 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -57.28 -41.83 80.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 8' ' ' TYR . 18.9 t -55.23 -50.77 61.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 m -62.78 -31.5 72.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -66.73 -50.96 61.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.29 -25.04 75.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -53.5 12.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -66.41 -61.14 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.44 -45.27 69.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 37.74 50.93 1.96 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 53.7 98.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -46.31 127.61 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -161.25 125.77 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -60.26 -150.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.63 -162.49 28.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.47 69.37 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.518 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -74.15 -51.58 4.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.98 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.1 m -103.59 -36.16 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.46 -52.5 13.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 tp -61.8 -27.27 41.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -68.33 -39.24 82.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.3 -54.44 13.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.87 -52.95 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.73 -48.46 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.704 HG13 HG21 ' A' ' 59' ' ' THR . 2.5 t -55.54 -38.72 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.68 -34.23 59.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -52.67 58.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -65.36 -33.53 76.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.8 95.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.64 -52.92 9.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -50.2 -36.6 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.786 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.25 -49.41 5.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' O ' ' NH2' ' A' ' 93' ' ' ARG . . . -45.85 -35.9 4.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -37.41 -51.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 46' ' ' VAL . 1.8 mtt-85 -96.84 -14.78 21.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' CB ' ' O ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER 81.09 -6.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.6 t -105.61 138.44 41.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 164.56 -50.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -157.61 -45.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 -176.4 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' CG ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -53.29 -81.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' O ' HG12 ' A' ' 55' ' ' VAL . 5.1 t0 -162.15 -54.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -39.63 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 51' ' ' ARG . 6.9 tttt -61.18 -38.27 85.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 52' ' ' ASP . 13.6 p -76.32 -32.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -57.31 -56.68 18.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.8 tm? -68.65 -58.47 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -44.76 -33.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.704 HG21 HG13 ' A' ' 35' ' ' VAL . 7.2 m -74.07 -59.61 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' ALA . . . -40.45 -44.65 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -44.02 66.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -58.76 -63.33 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -44.39 73.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 60' ' ' ALA . . . -50.41 -43.94 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 m -70.89 -50.8 31.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 66' ' ' ILE . 18.8 mm -45.63 -53.36 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -50.8 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.6 37.56 0.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.696 HG11 ' HG3' ' A' ' 79' ' ' PRO . 61.3 t -70.54 -64.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -56.19 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -164.94 112.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 74.52 -73.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -151.3 160.83 43.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 p -138.88 -66.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 tttt 52.75 41.36 31.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.39 57.79 6.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.5 mt -116.95 -53.29 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.653 ' HB3' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -77.09 -52.15 1.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.696 ' HG3' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.0 -87.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 69.94 -61.75 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -72.09 -32.45 63.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -58.96 -59.66 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.808 ' HA ' HD23 ' A' ' 86' ' ' LEU . 79.7 t -70.15 -65.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -42.27 -30.7 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . -73.02 -53.44 7.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.808 HD23 ' HA ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -48.4 -42.71 32.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -54.16 28.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -24.23 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.59 -68.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -47.65 -22.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.94 ' O ' HG23 ' A' ' 95' ' ' VAL . 23.2 mt -86.93 -48.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -54.36 -25.2 22.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' N ' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -95.53 -44.62 7.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -18.8 48.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 91' ' ' ILE . 60.5 t -72.46 -77.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -45.64 -30.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.1 tt 39.38 54.93 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER 38.27 43.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.468 0.175 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.0 -64.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.362 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.95 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.601 HG23 ' H ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -43.98 -91.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.601 ' H ' HG23 ' A' ' 4' ' ' ILE . . . 70.34 -59.82 0.85 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -55.77 -58.62 7.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -49.89 -46.01 40.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.0 t80 -54.84 -47.26 74.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.95 -24.73 62.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -64.75 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.46 -42.17 95.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 8' ' ' TYR . 3.6 t -52.87 -52.62 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.9 m -61.76 -35.1 77.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.0 -52.27 64.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.8 -24.13 76.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -49.99 39.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -69.43 -57.14 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -54.32 -38.3 65.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.0 -76.55 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 111.038 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 43.32 92.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -57.03 133.41 54.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.42 79.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -56.67 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.3 -157.18 25.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.504 1.128 . . . . 0.0 111.043 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.08 77.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.524 ' N ' ' CD ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -73.79 -51.5 5.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.04 -174.45 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.655 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 4.7 m -104.29 -34.19 8.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.58 -50.57 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 30' ' ' ILE . 4.7 tp -61.01 -29.18 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 28' ' ' SER . . . -64.42 -45.46 87.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.53 -56.54 16.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.43 -53.28 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -53.55 -56.9 13.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.67 HG13 ' CG2' ' A' ' 59' ' ' THR . 2.4 t -48.53 -35.19 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.96 -37.2 64.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.32 99.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.762 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -70.45 -33.78 71.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 -55.01 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.43 -68.71 1.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -48.09 -35.58 11.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.06 -74.36 0.53 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.25 -63.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 59.35 31.28 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 178.57 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 46' ' ' VAL . 0.5 OUTLIER 77.9 -2.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 41.3 t -111.04 137.87 48.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 47' ' ' SER . 6.5 m-20 155.19 -59.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -155.31 -45.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 133.05 34.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 46' ' ' VAL . 17.6 mtp180 -62.77 -71.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -166.44 -47.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.3 t -91.61 -12.97 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -63.24 -46.74 85.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' THR . 13.0 p -71.41 -35.45 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -54.04 -59.01 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.651 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.9 tm? -68.29 -64.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 57' ' ' LEU . 28.2 t80 -36.94 -43.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.67 ' CG2' HG13 ' A' ' 35' ' ' VAL . 51.6 m -67.63 -57.82 5.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.628 ' O ' HD23 ' A' ' 82' ' ' LEU . . . -45.44 -41.18 9.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.31 -33.76 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' ' 65' ' ' THR . 0.3 OUTLIER -65.59 -50.52 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -65.66 -42.19 91.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . . . -56.39 -44.64 80.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -72.69 -33.32 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 63' ' ' LEU . 26.2 mt -61.74 -60.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.3 mtt -66.82 -59.41 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.97 44.19 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.847 HG11 ' HB3' ' A' ' 79' ' ' PRO . 25.2 t -87.25 -52.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.84 146.33 37.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -164.8 -55.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.66 116.58 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.74 98.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.2 p -168.94 111.8 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 tttm 72.86 -68.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.81 60.11 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.09 -27.13 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.66 ' HB3' HG13 ' A' ' 69' ' ' VAL . 2.3 mtt -48.45 -52.33 44.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.847 ' HB3' HG11 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.03 -89.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 69.61 -62.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' PRO . . . -68.89 -38.35 84.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 60' ' ' ALA . 1.2 tp -52.35 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -50.62 -44.98 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 80' ' ' ALA . . . -51.46 -33.43 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.58 -43.21 19.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.633 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -52.3 -44.69 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 89' ' ' MET . 9.6 t -70.48 -58.22 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.515 ' O ' HG22 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -47.95 -24.35 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 92' ' ' LEU . 1.4 ttp -80.3 -54.61 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -58.16 -19.24 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.862 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -92.09 -39.91 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -72.96 -13.74 61.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 -46.35 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' MET . 2.5 tp -60.49 -15.97 32.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.9 t -66.7 -38.67 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -90.9 15.36 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.6 tt 38.8 45.29 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.4 mt 36.31 36.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 stop_ save_